data_2b6f_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 2b6f _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 ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.948 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -151.66 -174.34 4.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.266 -0.896 . . . . 0.0 109.798 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.463 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 55.6 t -75.46 144.06 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 10.4 m-70 -149.03 143.88 26.37 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.092 -1.005 . . . . 0.0 109.968 -179.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -84.08 95.55 8.63 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.404 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.2 p -89.29 124.66 64.08 Favored Pre-proline 0 N--CA 1.497 1.891 0 O-C-N 121.196 -0.94 . . . . 0.0 109.268 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -47.4 139.71 16.6 Favored 'Trans proline' 0 N--CA 1.499 1.812 0 C-N-CA 121.964 1.776 . . . . 0.0 113.802 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.5 mt -67.09 -29.39 69.13 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.421 -0.8 . . . . 0.0 108.913 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t -68.05 -16.98 64.26 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.642 -0.661 . . . . 0.0 112.332 -177.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.6 m -112.19 24.95 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.272 0 O-C-N 120.695 -1.253 . . . . 0.0 110.96 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.9 mt -88.77 138.5 31.36 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.766 -1.209 . . . . 0.0 108.589 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.3 mt -108.48 115.48 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.534 -0.729 . . . . 0.0 109.859 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -132.49 95.75 20.03 Favored Pre-proline 0 N--CA 1.495 1.787 0 O-C-N 121.722 -0.611 . . . . 0.0 109.403 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -97.05 29.12 0.17 Allowed 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.944 2.429 . . . . 0.0 111.946 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tt -141.16 87.83 10.49 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.353 -0.842 . . . . 0.0 109.679 -178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -49.11 169.38 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 122.487 2.124 . . . . 0.0 112.164 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.7 m -158.21 165.35 35.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.166 -0.959 . . . . 0.0 109.88 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.9 t -96.17 110.24 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.5 mt -92.85 146.56 23.54 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 122.116 0.96 . . . . 0.0 110.924 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.1 t70 -103.11 133.42 20.35 Favored Pre-proline 0 C--N 1.299 -1.601 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 178.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.447 ' O ' ' OE1' ' A' ' 63' ' ' GLN . 94.9 Cg_endo -74.98 -19.64 17.69 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 121.937 1.758 . . . . 0.0 112.697 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.523 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.74 -35.45 20.78 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.991 -1.068 . . . . 0.0 109.155 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.431 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 27.9 tttt -73.28 -29.88 63.03 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.499 -0.751 . . . . 0.0 110.195 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.6 t -73.11 -34.92 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.627 ' N ' ' OE1' ' A' ' 63' ' ' GLN . 1.3 mp0 -62.74 -40.24 96.62 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.4 t -62.74 -40.81 98.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.284 -0.885 . . . . 0.0 109.363 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.6 mt -72.9 -45.36 58.63 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.227 -0.92 . . . . 0.0 108.866 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.0 t -55.78 -29.81 26.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.324 -0.86 . . . . 0.0 108.7 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -75.87 -36.67 59.47 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.468 -0.77 . . . . 0.0 110.022 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.5 m -65.31 -50.75 64.51 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.114 -0.991 . . . . 0.0 109.579 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.2 mt -60.17 -38.9 78.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.361 -0.837 . . . . 0.0 109.449 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -77.15 -29.79 54.76 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.255 -0.903 . . . . 0.0 110.471 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -91.82 -37.62 12.83 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.744 -1.222 . . . . 0.0 109.953 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -155.67 97.64 2.32 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.098 -1.001 . . . . 0.0 109.597 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.52 -3.31 13.71 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 121.617 1.545 . . . . 0.0 112.98 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -89.65 -28.84 19.22 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.936 -1.102 . . . . 0.0 110.809 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.4 m -83.6 23.38 0.96 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.767 -1.208 . . . . 0.0 109.59 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 t -120.68 103.4 43.63 Favored Pre-proline 0 N--CA 1.5 2.026 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.539 ' O ' ' NH1' ' A' ' 101' ' ' ARG . 38.2 Cg_endo -74.86 162.76 36.85 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.665 1.577 . . . . 0.0 112.695 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.43 170.43 19.95 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.768 2.312 . . . . 0.0 112.165 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.1 pt -108.08 163.94 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -84.56 132.66 34.49 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.099 -1.0 . . . . 0.0 108.77 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.9 t -136.4 137.92 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.2 mt -88.47 133.29 34.17 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.463 -0.773 . . . . 0.0 110.069 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -108.32 107.73 18.44 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 27.6 mt -126.56 145.63 33.77 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 121.398 -0.814 . . . . 0.0 109.785 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.55 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 37.3 mttp -108.7 156.6 19.39 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 121.548 0.689 . . . . 0.0 109.594 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.36 -168.12 37.13 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.49 -6.5 36.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.549 -0.971 . . . . 0.0 110.776 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.413 ' C ' ' H ' ' A' ' 90' ' ' GLY . 40.5 mt-30 -130.0 39.09 3.73 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.062 -1.024 . . . . 0.0 110.799 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.85 -12.91 0.97 Allowed Glycine 0 N--CA 1.493 2.476 0 O-C-N 121.102 -0.999 . . . . 0.0 111.658 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.526 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -50.35 108.39 0.5 Allowed Glycine 0 N--CA 1.487 2.037 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.55 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 12.6 m-20 -76.53 136.4 39.3 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.452 -1.028 . . . . 0.0 109.176 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.526 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 98.7 m-85 -131.82 130.65 42.03 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -104.28 120.53 41.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.318 -0.864 . . . . 0.0 110.185 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -107.14 137.62 44.87 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.49 132.98 49.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.696 -0.628 . . . . 0.0 109.397 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -134.49 90.67 2.69 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 135.27 -163.94 24.85 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.39 24.28 0.98 Allowed Glycine 0 N--CA 1.495 2.612 0 O-C-N 121.097 -1.237 . . . . 0.0 110.36 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.4 m -53.43 -56.18 18.98 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.92 -1.341 . . . . 0.0 109.796 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -61.71 -33.95 74.93 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.116 -0.99 . . . . 0.0 109.749 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.539 ' NH1' ' O ' ' A' ' 77' ' ' PRO . 1.6 tpp85 -63.92 -31.37 72.52 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.982 -1.074 . . . . 0.0 109.228 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -68.7 -42.65 77.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.244 -0.91 . . . . 0.0 109.064 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.6 -44.47 89.89 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.282 -0.886 . . . . 0.0 110.113 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.78 -45.81 92.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.022 -1.049 . . . . 0.0 109.518 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -68.48 -42.89 78.05 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.29 -0.881 . . . . 0.0 109.146 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -35.45 80.45 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.337 -0.852 . . . . 0.0 110.024 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.436 ' C ' ' H ' ' A' ' 109' ' ' GLN . 43.6 tt0 -70.31 -36.84 74.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.215 -0.928 . . . . 0.0 109.615 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 91.3 mt -74.04 11.06 0.98 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.276 -0.89 . . . . 0.0 109.813 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.436 ' H ' ' C ' ' A' ' 107' ' ' GLN . 9.7 mt-30 45.43 43.15 8.41 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.273 -0.892 . . . . 0.0 110.154 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 70.2 mmt-85 -81.59 160.9 23.71 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.16 -0.963 . . . . 0.0 109.084 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -84.29 -42.59 15.67 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.508 -0.745 . . . . 0.0 110.567 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.8 p -133.75 177.02 8.04 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.843 -1.161 . . . . 0.0 110.578 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.8 tt -139.05 140.64 27.32 Favored Pre-proline 0 N--CA 1.504 2.241 0 O-C-N 121.615 -0.678 . . . . 0.0 110.027 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -67.91 131.29 23.63 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 120.893 1.062 . . . . 0.0 110.519 177.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.12 129.38 11.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.098 -1.001 . . . . 0.0 109.897 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 29.0 tttp -72.68 123.94 24.3 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.514 -0.741 . . . . 0.0 109.17 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 53.2 mt -87.86 136.46 32.95 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.071 -1.018 . . . . 0.0 109.285 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 95.8 t -132.98 107.3 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.569 -0.707 . . . . 0.0 109.149 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.556 ' NE2' ' N ' ' A' ' 120' ' ' SER . 0.0 OUTLIER -50.3 132.45 24.35 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.249 -0.907 . . . . 0.0 108.896 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.556 ' N ' ' NE2' ' A' ' 119' ' ' GLN . 5.2 m -138.83 -178.79 5.48 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.312 -0.867 . . . . 0.0 109.432 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.1 p -127.45 160.46 31.39 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.571 -0.706 . . . . 0.0 109.438 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.8 tp -54.59 -27.61 40.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.096 -1.002 . . . . 0.0 109.601 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.4 t -59.82 -47.14 86.93 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.905 -1.122 . . . . 0.0 109.258 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -55.86 -37.2 68.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.023 -1.048 . . . . 0.0 108.563 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.3 tp -67.73 -32.21 72.68 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.964 -1.085 . . . . 0.0 109.476 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -64.01 -35.21 79.97 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.775 -1.203 . . . . 0.0 108.615 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 67.1 t -58.88 -35.96 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.1 -1.0 . . . . 0.0 108.688 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -90.02 -47.5 7.8 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.207 -0.933 . . . . 0.0 110.719 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.563 ' C ' ' H ' ' A' ' 131' ' ' ALA . 66.8 mt -117.97 45.77 1.9 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.473 -0.767 . . . . 0.0 110.278 -178.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.34 37.87 0.12 Allowed Glycine 0 N--CA 1.489 2.212 0 C-N-CA 119.799 -1.191 . . . . 0.0 110.247 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.563 ' H ' ' C ' ' A' ' 129' ' ' LEU . . . -154.86 -53.77 0.09 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.904 -1.35 . . . . 0.0 109.333 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.7 t -99.12 36.17 1.77 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.184 -0.947 . . . . 0.0 109.361 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.2 OUTLIER -78.31 121.73 84.21 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.283 -0.885 . . . . 0.0 109.378 -179.526 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -78.78 -173.98 2.09 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.055 1.837 . . . . 0.0 111.899 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.523 ' C ' HE21 ' A' ' 137' ' ' GLN . 38.2 t0 -109.89 95.54 5.67 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.51 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.3 mt -62.33 142.61 57.69 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.673 0.749 . . . . 0.0 110.858 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.523 HE21 ' C ' ' A' ' 135' ' ' ASP . 71.1 mm-40 . . . . . 0 N--CA 1.497 1.895 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.204 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.979 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.19 -174.38 4.43 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.279 -0.888 . . . . 0.0 109.635 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.514 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 91.2 t -75.12 144.01 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.449 -0.782 . . . . 0.0 109.108 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 14.2 m-70 -152.14 146.94 25.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.323 -0.861 . . . . 0.0 109.735 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -84.47 96.14 9.02 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.2 p -89.87 125.06 62.06 Favored Pre-proline 0 N--CA 1.498 1.954 0 O-C-N 121.15 -0.969 . . . . 0.0 109.102 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -47.24 141.2 13.76 Favored 'Trans proline' 0 N--CA 1.499 1.822 0 C-N-CA 121.909 1.739 . . . . 0.0 113.792 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.8 mt -67.88 -31.27 70.96 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.475 -0.766 . . . . 0.0 109.119 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.0 t -67.72 -16.73 64.28 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.583 -0.698 . . . . 0.0 112.519 -177.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.5 m -111.44 24.5 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.285 0 O-C-N 120.656 -1.278 . . . . 0.0 110.993 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.53 126.06 37.44 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.74 -1.225 . . . . 0.0 109.041 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.7 mt -94.98 118.62 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.391 -0.818 . . . . 0.0 110.122 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.3 mtp-105 -135.11 95.22 15.22 Favored Pre-proline 0 N--CA 1.496 1.867 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -95.84 25.96 0.28 Allowed 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 122.841 2.361 . . . . 0.0 112.589 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tt -130.95 101.85 16.42 Favored Pre-proline 0 N--CA 1.502 2.163 0 O-C-N 121.303 -0.873 . . . . 0.0 109.894 -178.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -48.02 169.52 0.07 OUTLIER 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.942 1.761 . . . . 0.0 112.053 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.8 m -159.96 162.68 34.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.107 -0.996 . . . . 0.0 109.945 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -107.35 110.56 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 75.2 mt -92.43 146.56 23.59 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.191 -0.943 . . . . 0.0 110.773 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -108.42 139.88 21.21 Favored Pre-proline 0 N--CA 1.49 1.552 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -75.96 -19.04 16.26 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 122.085 1.857 . . . . 0.0 113.015 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.66 -42.62 17.91 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.944 -1.097 . . . . 0.0 110.265 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.21 -31.84 66.22 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.05 -1.032 . . . . 0.0 109.939 -179.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 64.8 t -68.06 -35.57 72.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.824 -1.173 . . . . 0.0 109.03 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -66.31 -40.55 90.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.229 -0.919 . . . . 0.0 108.631 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.2 t -60.04 -39.63 86.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.29 -0.881 . . . . 0.0 109.235 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mt -74.67 -50.12 18.85 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.283 -0.886 . . . . 0.0 108.847 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.3 t -55.5 -30.88 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 O-C-N 121.194 -0.941 . . . . 0.0 108.675 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -76.52 -38.82 54.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.401 -0.812 . . . . 0.0 109.605 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 72' ' ' ASP . 5.6 m -64.58 -51.67 61.57 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.416 -0.803 . . . . 0.0 109.379 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.5 mt -57.76 -40.9 78.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 121.406 -0.808 . . . . 0.0 109.196 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -76.97 -31.31 56.46 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.231 -0.918 . . . . 0.0 110.434 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -89.24 -35.46 16.17 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.838 -1.164 . . . . 0.0 110.128 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.432 ' OD1' ' OD2' ' A' ' 74' ' ' ASP . 37.4 t0 -156.61 97.32 2.16 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.221 -0.924 . . . . 0.0 109.317 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.91 -6.65 18.9 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 121.471 1.447 . . . . 0.0 113.06 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 75' ' ' SER . 1.5 p30 -88.13 -40.0 14.11 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.934 -1.104 . . . . 0.0 110.177 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.523 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 24.0 m -71.85 22.53 0.05 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.979 -1.076 . . . . 0.0 109.923 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.52 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.6 t -118.62 106.68 43.86 Favored Pre-proline 0 N--CA 1.499 1.998 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -76.27 162.07 34.28 Favored 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 121.616 1.544 . . . . 0.0 112.889 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -76.89 172.71 15.7 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.83 2.353 . . . . 0.0 112.193 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.4 pt -111.54 165.27 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -88.42 135.87 33.26 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.277 -0.89 . . . . 0.0 108.712 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.4 t -138.5 137.36 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.372 -0.83 . . . . 0.0 109.308 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.3 mt -87.23 131.59 34.17 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.418 -0.801 . . . . 0.0 109.444 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.521 ' O ' ' NE2' ' A' ' 119' ' ' GLN . 11.5 t90 -111.69 110.04 20.22 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 27.3 mt -128.06 148.4 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 O-C-N 121.416 -0.803 . . . . 0.0 110.193 -178.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.523 ' HZ3' ' CG ' ' A' ' 91' ' ' ASP . 27.3 mttp -107.63 158.36 17.31 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 121.742 0.782 . . . . 0.0 110.102 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.42 -167.92 32.69 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.71 -6.59 38.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.641 -0.917 . . . . 0.0 110.786 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -129.89 33.81 4.36 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.998 -1.064 . . . . 0.0 110.81 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.431 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 73.98 -13.84 4.11 Favored Glycine 0 N--CA 1.496 2.658 0 O-C-N 121.069 -1.019 . . . . 0.0 111.265 178.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.07 107.84 0.29 Allowed Glycine 0 N--CA 1.487 2.084 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.523 ' CG ' ' HZ3' ' A' ' 85' ' ' LYS . 6.5 m-20 -75.84 133.07 40.71 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.521 -0.987 . . . . 0.0 109.444 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.6 m-85 -129.73 130.24 45.19 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -103.54 117.73 35.11 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.243 -0.911 . . . . 0.0 110.096 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -105.81 132.2 52.22 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.9 t -123.78 134.22 53.68 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.517 -0.739 . . . . 0.0 109.604 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -133.52 88.39 2.48 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 141.54 -165.02 26.54 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 44.88 22.89 0.5 Allowed Glycine 0 N--CA 1.495 2.605 0 O-C-N 121.169 -1.195 . . . . 0.0 110.49 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 97' ' ' GLY . 11.0 m -50.66 -49.85 56.1 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.865 -1.374 . . . . 0.0 109.653 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -66.93 -43.95 81.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.18 -0.95 . . . . 0.0 109.838 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -57.24 -28.06 62.59 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.971 -1.081 . . . . 0.0 109.261 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -71.26 -43.63 66.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.046 -1.034 . . . . 0.0 108.715 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.75 -39.89 90.4 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.271 -0.893 . . . . 0.0 109.736 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.46 -49.24 72.22 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.116 -0.99 . . . . 0.0 109.364 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -64.61 -43.7 92.92 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.203 -0.935 . . . . 0.0 108.538 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -61.97 -45.79 92.09 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.36 -0.837 . . . . 0.0 109.434 -179.802 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.468 ' C ' ' H ' ' A' ' 109' ' ' GLN . 33.7 tt0 -58.56 -40.27 82.6 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.413 -0.805 . . . . 0.0 110.071 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.4 mt -73.03 11.78 0.64 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.092 -1.005 . . . . 0.0 109.77 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.468 ' H ' ' C ' ' A' ' 107' ' ' GLN . 6.2 tt0 44.92 46.25 8.93 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.36 -0.838 . . . . 0.0 110.157 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 -85.85 160.65 19.38 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.065 -1.022 . . . . 0.0 108.852 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -82.89 -41.66 18.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.388 -0.82 . . . . 0.0 110.774 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 35.0 p -134.01 177.33 7.82 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.953 -1.092 . . . . 0.0 110.939 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.4 tt -139.65 140.95 26.48 Favored Pre-proline 0 N--CA 1.502 2.155 0 O-C-N 121.667 -0.646 . . . . 0.0 110.143 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -67.05 131.07 24.32 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 120.817 1.011 . . . . 0.0 110.66 177.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.24 134.15 13.94 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.151 -0.968 . . . . 0.0 109.495 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.72 119.61 21.48 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.307 -0.871 . . . . 0.0 108.991 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 51.9 mt -78.83 138.47 38.18 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.195 -0.941 . . . . 0.0 109.174 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 52.9 t -133.78 102.07 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.521 ' NE2' ' O ' ' A' ' 83' ' ' TRP . 15.9 tp60 -58.28 123.63 16.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.219 -0.925 . . . . 0.0 108.973 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.517 ' N ' HE21 ' A' ' 119' ' ' GLN . 6.5 m -130.65 -178.97 5.02 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.473 -0.767 . . . . 0.0 109.685 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.7 p -118.11 160.63 21.2 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-O 121.487 0.66 . . . . 0.0 109.418 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 32.0 tp -54.82 -34.35 62.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.143 -0.973 . . . . 0.0 109.853 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 72.2 m -54.49 -47.63 72.79 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.959 -1.088 . . . . 0.0 109.534 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -55.21 -43.21 74.26 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.09 -1.006 . . . . 0.0 109.034 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.7 -38.8 82.61 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.898 -1.126 . . . . 0.0 108.796 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -56.65 -35.75 68.74 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.251 -0.905 . . . . 0.0 109.288 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 99.8 t -59.42 -33.34 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.078 -1.014 . . . . 0.0 108.394 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -90.3 -48.87 6.87 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.364 -0.835 . . . . 0.0 110.771 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 131' ' ' ALA . 69.5 mt -116.78 45.1 1.9 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.517 -0.74 . . . . 0.0 110.193 -178.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.52 38.24 0.1 OUTLIER Glycine 0 N--CA 1.49 2.239 0 N-CA-C 110.359 -1.096 . . . . 0.0 110.359 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -155.37 -53.76 0.09 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.818 -1.401 . . . . 0.0 109.388 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.0 t -100.28 36.81 1.79 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.208 -0.933 . . . . 0.0 109.229 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -77.82 118.84 74.68 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.273 -0.892 . . . . 0.0 109.759 -179.252 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -80.19 -174.84 2.42 Favored 'Trans proline' 0 N--CA 1.491 1.345 0 C-N-CA 121.84 1.693 . . . . 0.0 111.279 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.469 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 47.0 t0 -105.55 127.75 53.21 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.741 0.781 . . . . 0.0 109.016 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.533 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 97.5 mt -92.41 139.88 30.14 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.469 0.652 . . . . 0.0 110.17 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.533 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 61.9 mm-40 . . . . . 0 N--CA 1.497 1.914 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.371 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.342 0.592 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.04 -174.43 4.43 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.301 -0.874 . . . . 0.0 109.562 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.508 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 89.7 t -74.97 143.89 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.451 -0.781 . . . . 0.0 109.001 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 13.3 m-70 -152.01 145.05 24.53 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.275 -0.891 . . . . 0.0 109.837 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -84.66 94.09 8.56 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.407 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.0 p -86.77 125.21 67.66 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 121.154 -0.966 . . . . 0.0 109.298 -179.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -48.07 140.27 19.43 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 121.684 1.589 . . . . 0.0 113.314 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.25 -31.47 72.31 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.784 0.802 . . . . 0.0 109.502 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.4 p -63.88 -27.66 69.31 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.803 -0.56 . . . . 0.0 112.48 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.9 m -101.46 26.24 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.269 0 O-C-N 120.751 -1.218 . . . . 0.0 111.475 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.3 mt -90.84 139.29 30.88 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.652 -1.28 . . . . 0.0 108.758 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.2 mt -106.95 116.74 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.56 -0.712 . . . . 0.0 109.902 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -133.33 95.24 18.48 Favored Pre-proline 0 N--CA 1.495 1.814 0 O-C-N 121.687 -0.633 . . . . 0.0 109.858 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -98.2 28.95 0.15 Allowed 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.987 2.458 . . . . 0.0 111.542 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.7 tt -141.9 88.23 9.52 Favored Pre-proline 0 N--CA 1.495 1.789 0 O-C-N 121.27 -0.894 . . . . 0.0 109.894 -178.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -48.01 169.19 0.08 OUTLIER 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.298 1.999 . . . . 0.0 111.917 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.6 m -158.19 164.67 36.32 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.071 -1.018 . . . . 0.0 110.081 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.452 ' CG1' ' O ' ' A' ' 56' ' ' VAL . 2.7 p -96.86 118.17 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 179.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.2 mt -100.52 146.58 26.92 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 122.04 0.924 . . . . 0.0 110.857 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.1 t70 -101.92 131.88 22.26 Favored Pre-proline 0 C--N 1.3 -1.573 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 178.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -74.75 -19.51 18.42 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 121.858 1.706 . . . . 0.0 112.576 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.525 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.39 -34.88 21.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.027 -1.046 . . . . 0.0 109.225 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.421 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 8.4 ttpt -74.12 -31.39 62.75 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.327 -0.858 . . . . 0.0 109.761 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.1 t -72.4 -35.89 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 120.988 -1.07 . . . . 0.0 109.063 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -64.48 -40.74 96.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.218 -0.926 . . . . 0.0 108.877 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.9 t -62.28 -37.68 86.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.236 -0.915 . . . . 0.0 109.364 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.6 mt -75.79 -44.76 39.76 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.287 -0.883 . . . . 0.0 109.046 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 37.5 t -55.49 -33.08 31.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -76.44 -37.56 56.79 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.383 -0.823 . . . . 0.0 110.111 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.6 m -65.21 -51.54 60.3 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.06 -1.025 . . . . 0.0 109.519 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.9 mt -56.18 -41.62 70.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.215 -0.928 . . . . 0.0 108.672 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.505 ' NE ' ' CD2' ' A' ' 108' ' ' LEU . 68.3 mtt180 -77.43 -27.29 52.2 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.345 -0.847 . . . . 0.0 110.475 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -90.09 -36.24 14.99 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.763 -1.21 . . . . 0.0 109.645 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -157.55 101.25 1.85 Allowed Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.231 -0.918 . . . . 0.0 109.282 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.48 -17.05 34.55 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 121.354 1.369 . . . . 0.0 113.07 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.492 ' C ' ' H ' ' A' ' 76' ' ' VAL . 43.1 m-20 -84.25 -28.24 27.35 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.855 -1.153 . . . . 0.0 110.286 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.6 m -74.65 17.39 0.21 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.898 -1.126 . . . . 0.0 109.412 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.492 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.2 t -131.2 104.39 15.06 Favored Pre-proline 0 N--CA 1.498 1.934 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -74.14 162.35 38.96 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 121.655 1.57 . . . . 0.0 112.931 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.21 169.45 20.66 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.79 2.327 . . . . 0.0 111.955 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.3 pt -106.7 165.08 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.61 -0.681 . . . . 0.0 109.754 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 80' ' ' ASP . 1.3 p-10 -88.27 132.93 34.19 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.7 t -136.47 135.21 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.28 -0.888 . . . . 0.0 109.668 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.9 mt -85.17 135.58 33.9 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.642 0.734 . . . . 0.0 109.153 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 8.4 t90 -115.7 115.97 27.27 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.4 mt -133.09 143.98 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 121.023 -1.048 . . . . 0.0 110.343 -178.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.574 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 0.6 OUTLIER -103.22 156.9 17.38 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.532 0.682 . . . . 0.0 109.606 -179.089 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.26 -167.81 31.54 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.866 -1.293 . . . . 0.0 109.866 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.63 -6.08 38.31 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.585 -0.95 . . . . 0.0 110.729 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.406 ' C ' ' H ' ' A' ' 90' ' ' GLY . 43.6 mt-30 -130.48 38.91 3.69 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.998 -1.064 . . . . 0.0 110.896 -179.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.63 -13.13 1.27 Allowed Glycine 0 N--CA 1.493 2.447 0 O-C-N 121.173 -0.954 . . . . 0.0 111.746 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.518 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -51.62 109.14 0.74 Allowed Glycine 0 N--CA 1.486 2.009 0 O-C-N 120.764 -1.433 . . . . 0.0 109.632 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.574 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 5.3 m-20 -78.07 134.45 37.74 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.421 -1.046 . . . . 0.0 108.968 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.518 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.1 m-85 -128.44 126.01 39.69 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -100.77 121.35 41.52 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.211 -0.931 . . . . 0.0 109.992 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -108.81 132.55 53.88 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.718 -0.614 . . . . 0.0 109.694 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.3 130.26 52.49 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.586 -0.696 . . . . 0.0 109.307 178.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -131.08 90.01 2.82 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.13 -1.434 . . . . 0.0 107.13 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 135.97 -162.54 25.01 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 108.449 -1.86 . . . . 0.0 108.449 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.35 16.41 0.1 OUTLIER Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 97' ' ' GLY . 6.8 m -49.69 -48.98 49.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.164 -1.198 . . . . 0.0 109.977 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -67.04 -43.72 82.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.032 -1.042 . . . . 0.0 109.644 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.9 mtm180 -60.05 -29.31 68.45 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.924 -1.11 . . . . 0.0 109.056 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -68.92 -42.09 77.25 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.98 90.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.296 -0.878 . . . . 0.0 109.528 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.3 93.6 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.168 -0.957 . . . . 0.0 109.449 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -67.5 -44.26 78.89 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.242 -0.912 . . . . 0.0 108.759 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -60.09 -50.95 71.67 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.347 -0.846 . . . . 0.0 109.509 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.515 ' C ' ' H ' ' A' ' 109' ' ' GLN . 15.1 tm0? -56.6 -42.89 79.53 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.371 -0.831 . . . . 0.0 110.143 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.505 ' CD2' ' NE ' ' A' ' 70' ' ' ARG . 86.9 mt -67.61 7.77 0.44 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.102 -0.999 . . . . 0.0 109.621 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.515 ' H ' ' C ' ' A' ' 107' ' ' GLN . 6.1 tt0 45.45 42.51 7.79 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.332 -0.855 . . . . 0.0 110.109 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 27.0 mmt-85 -80.66 159.96 25.17 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.051 -1.031 . . . . 0.0 108.779 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -81.17 -41.49 22.3 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.447 -0.783 . . . . 0.0 110.624 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 35.4 p -133.44 177.86 7.36 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 120.973 -1.079 . . . . 0.0 110.975 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.6 tt -138.93 141.1 29.12 Favored Pre-proline 0 N--CA 1.502 2.15 0 O-C-N 121.709 -0.619 . . . . 0.0 109.921 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.12 131.69 25.9 Favored 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 120.926 1.084 . . . . 0.0 110.89 177.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.92 134.56 13.62 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.113 -0.992 . . . . 0.0 109.728 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.2 115.41 18.85 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.402 -0.811 . . . . 0.0 109.283 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 52.8 mt -79.66 134.35 36.42 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.018 -1.051 . . . . 0.0 109.53 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 44.0 t -138.15 101.64 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.664 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 0.1 OUTLIER -53.07 133.63 38.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.151 -0.968 . . . . 0.0 109.603 -179.4 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -134.64 -177.77 4.76 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.0 p -116.45 159.0 22.66 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-O 121.718 0.77 . . . . 0.0 109.826 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 30.2 tp -55.28 -28.91 56.66 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.242 -0.911 . . . . 0.0 109.69 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 73.6 m -58.39 -48.05 81.89 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.959 -1.088 . . . . 0.0 109.319 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.16 -38.43 68.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.142 -0.974 . . . . 0.0 108.587 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.06 -31.83 72.94 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.9 -1.125 . . . . 0.0 109.095 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -62.32 -35.58 79.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.922 -1.111 . . . . 0.0 108.965 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.78 -34.86 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 O-C-N 121.191 -0.943 . . . . 0.0 108.599 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -90.16 -47.84 7.55 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.274 -0.891 . . . . 0.0 110.949 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.562 ' C ' ' H ' ' A' ' 131' ' ' ALA . 65.9 mt -117.29 43.99 2.21 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.505 -0.747 . . . . 0.0 110.481 -177.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.91 37.9 0.1 Allowed Glycine 0 N--CA 1.488 2.109 0 C-N-CA 119.896 -1.145 . . . . 0.0 110.346 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.562 ' H ' ' C ' ' A' ' 129' ' ' LEU . . . -153.62 -54.83 0.11 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.882 -1.364 . . . . 0.0 109.306 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.4 p -99.86 35.26 2.07 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.254 -0.904 . . . . 0.0 109.223 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.2 OUTLIER -74.62 121.39 85.14 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.316 -0.865 . . . . 0.0 109.455 -179.553 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -79.59 -173.95 2.07 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.093 1.862 . . . . 0.0 111.786 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.524 ' C ' HE21 ' A' ' 137' ' ' GLN . 41.6 t0 -110.29 95.75 5.78 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.504 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.9 mt -61.7 141.43 57.85 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 121.704 0.764 . . . . 0.0 110.799 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.524 HE21 ' C ' ' A' ' 135' ' ' ASP . 71.2 mm-40 . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.136 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -151.94 -174.92 5.02 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.254 -0.904 . . . . 0.0 109.793 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.52 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 89.1 t -75.66 144.6 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.495 -0.753 . . . . 0.0 109.083 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.52 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 15.0 m-70 -152.5 143.02 22.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.343 -0.848 . . . . 0.0 109.583 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -80.21 93.72 5.92 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.412 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.5 p -86.18 123.82 71.12 Favored Pre-proline 0 N--CA 1.496 1.83 0 O-C-N 121.219 -0.926 . . . . 0.0 109.283 -179.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -47.18 141.72 12.78 Favored 'Trans proline' 0 N--CA 1.498 1.784 0 C-N-CA 121.859 1.706 . . . . 0.0 113.624 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 mt -68.54 -29.34 67.89 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.495 -0.753 . . . . 0.0 109.24 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 t -72.18 -12.81 61.35 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.475 -0.765 . . . . 0.0 112.707 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.0 m -112.79 25.59 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.282 0 O-C-N 120.625 -1.297 . . . . 0.0 110.752 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.2 mt -95.63 133.31 39.83 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.831 -1.168 . . . . 0.0 109.085 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 97.0 mt -99.0 116.62 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.388 -0.82 . . . . 0.0 109.503 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.468 HH22 ' HG ' ' A' ' 95' ' ' SER . 81.4 mtt-85 -132.57 96.13 19.23 Favored Pre-proline 0 N--CA 1.498 1.93 0 O-C-N 121.583 -0.698 . . . . 0.0 109.536 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -96.93 26.82 0.22 Allowed 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 123.137 2.558 . . . . 0.0 112.347 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.4 mp -138.95 114.02 8.43 Favored Pre-proline 0 N--CA 1.499 1.975 0 O-C-N 121.285 -0.884 . . . . 0.0 108.979 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.93 165.11 28.94 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 121.795 1.663 . . . . 0.0 111.712 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.6 m -149.23 165.5 31.71 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.061 -1.024 . . . . 0.0 109.904 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -95.9 109.82 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.0 mt -89.26 146.59 24.63 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 122.227 1.013 . . . . 0.0 110.965 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.6 t70 -104.86 133.93 19.9 Favored Pre-proline 0 C--N 1.3 -1.587 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.55 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 68.7 Cg_endo -73.64 -23.63 16.75 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.775 1.65 . . . . 0.0 112.713 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.488 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -81.63 -34.27 30.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.855 -1.153 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -75.63 -30.49 59.52 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.464 -0.772 . . . . 0.0 110.049 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.8 t -73.14 -51.45 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 120.818 -1.176 . . . . 0.0 108.33 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -50.28 -40.28 47.82 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.44 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.6 t -61.54 -41.01 96.71 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.256 -0.903 . . . . 0.0 109.445 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.2 mt -74.17 -46.16 43.99 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.303 -0.873 . . . . 0.0 108.892 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.0 t -55.72 -34.13 35.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.207 -0.933 . . . . 0.0 108.601 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -76.25 -33.71 59.17 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.421 -0.799 . . . . 0.0 109.532 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 72' ' ' ASP . 6.8 m -67.33 -51.42 52.65 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.192 -0.943 . . . . 0.0 109.43 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.2 mt -58.56 -40.79 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.38 -0.825 . . . . 0.0 109.267 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -76.93 -32.84 57.64 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.203 -0.935 . . . . 0.0 110.298 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -88.96 -33.94 17.05 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.835 -1.165 . . . . 0.0 110.323 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.429 ' OD2' ' OD2' ' A' ' 74' ' ' ASP . 22.5 t70 -158.4 97.39 1.8 Allowed Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.158 -0.964 . . . . 0.0 109.509 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.04 -1.57 11.58 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 121.693 1.595 . . . . 0.0 112.951 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.519 ' C ' ' H ' ' A' ' 76' ' ' VAL . 1.5 p-10 -88.94 -41.71 12.24 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.944 -1.098 . . . . 0.0 110.054 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.5 t -71.96 24.45 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.067 -1.021 . . . . 0.0 109.86 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.519 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.4 t -126.97 102.82 24.2 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 121.254 -0.904 . . . . 0.0 108.692 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -77.5 162.2 30.73 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.767 1.644 . . . . 0.0 112.934 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.72 170.97 19.08 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 122.782 2.322 . . . . 0.0 112.144 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.3 pt -107.18 167.4 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.663 -0.648 . . . . 0.0 109.47 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 81' ' ' VAL . 13.6 t0 -91.63 137.84 32.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.204 -0.935 . . . . 0.0 108.553 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.44 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 16.1 t -138.69 137.86 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.531 -0.73 . . . . 0.0 109.219 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.2 mt -86.83 127.35 35.02 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.467 -0.771 . . . . 0.0 109.884 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -106.32 111.41 23.98 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.2 mt -126.47 145.01 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.38 -0.825 . . . . 0.0 110.087 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.568 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 2.2 tttp -104.01 156.21 18.04 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.486 0.66 . . . . 0.0 110.292 -178.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.18 -174.68 37.58 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.45 -6.25 18.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.681 -0.893 . . . . 0.0 110.893 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -130.25 37.93 3.83 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.057 -1.027 . . . . 0.0 110.772 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.458 ' O ' ' NZ ' ' A' ' 85' ' ' LYS . . . 71.21 -13.23 2.04 Favored Glycine 0 N--CA 1.492 2.404 0 O-C-N 121.079 -1.013 . . . . 0.0 111.58 178.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.421 ' O ' ' CE1' ' A' ' 92' ' ' TYR . . . -50.94 111.1 1.14 Allowed Glycine 0 N--CA 1.486 1.999 0 O-C-N 120.785 -1.421 . . . . 0.0 109.598 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.568 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 14.2 m-20 -79.76 133.0 36.3 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.539 -0.977 . . . . 0.0 109.963 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.421 ' CE1' ' O ' ' A' ' 90' ' ' GLY . 94.8 m-85 -126.05 149.29 48.97 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -122.66 119.14 29.86 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.283 -0.886 . . . . 0.0 110.263 -178.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -108.41 131.92 54.29 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.468 ' HG ' HH22 ' A' ' 51' ' ' ARG . 3.0 t -125.82 134.74 51.57 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -133.82 88.4 2.47 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 141.96 -161.64 27.14 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.05 24.99 0.9 Allowed Glycine 0 N--CA 1.494 2.551 0 O-C-N 121.247 -1.149 . . . . 0.0 110.357 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 4.9 m -52.2 -51.23 59.4 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.904 -1.351 . . . . 0.0 109.73 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -67.83 -49.26 63.2 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.261 -0.9 . . . . 0.0 109.727 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -53.74 -29.81 41.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.028 -1.045 . . . . 0.0 109.208 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -70.75 -42.83 69.94 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.129 -0.982 . . . . 0.0 108.795 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.34 -48.31 82.13 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.265 -0.897 . . . . 0.0 109.88 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.11 -44.47 74.99 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.042 -1.036 . . . . 0.0 109.322 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -69.36 -41.4 76.62 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.306 -0.872 . . . . 0.0 108.992 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -64.42 -34.73 78.85 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.215 -0.928 . . . . 0.0 110.038 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.532 ' C ' ' H ' ' A' ' 109' ' ' GLN . 55.3 tt0 -73.0 -41.93 63.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.2 -0.938 . . . . 0.0 109.836 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.83 9.31 0.19 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.304 -0.873 . . . . 0.0 109.896 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.532 ' H ' ' C ' ' A' ' 107' ' ' GLN . 19.0 tp60 46.57 43.17 12.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.225 -0.922 . . . . 0.0 109.898 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -82.52 159.17 22.89 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.169 -0.957 . . . . 0.0 108.977 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.417 ' N ' ' CD ' ' A' ' 111' ' ' GLU . 16.4 mp0 -82.51 -40.65 20.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.406 -0.809 . . . . 0.0 110.839 -179.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 36.4 p -133.86 177.88 7.38 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.981 -1.074 . . . . 0.0 110.757 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.21 141.11 28.37 Favored Pre-proline 0 N--CA 1.503 2.199 0 O-C-N 121.688 -0.633 . . . . 0.0 110.013 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.38 130.27 23.44 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 120.919 1.079 . . . . 0.0 110.917 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.52 133.32 14.01 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.137 -0.977 . . . . 0.0 109.626 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -78.98 111.74 15.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.361 -0.837 . . . . 0.0 108.854 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 65.9 mt -71.82 138.56 48.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.931 -1.106 . . . . 0.0 109.16 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.0 t -133.88 101.94 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' A' ' 120' ' ' SER . 1.6 tm0? -55.43 126.58 25.74 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.205 -0.935 . . . . 0.0 109.068 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.53 ' O ' ' NE2' ' A' ' 119' ' ' GLN . 6.0 m -134.28 -179.41 5.55 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.398 -0.814 . . . . 0.0 109.646 -179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.7 p -119.07 160.26 22.38 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 121.568 0.699 . . . . 0.0 109.498 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.2 tp -55.5 -26.09 40.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.175 -0.953 . . . . 0.0 109.941 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.8 t -61.27 -49.47 76.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.888 -1.132 . . . . 0.0 109.683 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -55.05 -41.07 70.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.088 -1.007 . . . . 0.0 109.018 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.9 tp -59.55 -39.55 84.4 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 120.907 -1.121 . . . . 0.0 108.928 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.3 ttm105 -56.31 -36.93 69.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.167 -0.958 . . . . 0.0 109.249 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 97.4 t -58.63 -33.13 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 121.175 -0.953 . . . . 0.0 108.506 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -90.6 -48.65 6.95 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.262 -0.899 . . . . 0.0 110.828 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' A' ' 131' ' ' ALA . 65.6 mt -117.48 45.25 1.96 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.473 -0.767 . . . . 0.0 110.211 -178.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.71 38.89 0.1 Allowed Glycine 0 N--CA 1.489 2.215 0 C-N-CA 119.989 -1.101 . . . . 0.0 110.381 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.54 -58.05 0.12 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.806 -1.408 . . . . 0.0 109.519 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.8 m -98.95 36.94 1.6 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.118 -0.989 . . . . 0.0 109.233 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -74.62 118.66 71.86 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.286 -0.884 . . . . 0.0 109.797 -179.346 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -79.4 -174.32 2.23 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.87 1.713 . . . . 0.0 111.32 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.477 ' OD1' ' NE2' ' A' ' 137' ' ' GLN . 42.0 t0 -108.0 127.66 53.96 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.434 -0.791 . . . . 0.0 109.045 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.521 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 96.7 mt -92.61 138.84 31.15 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.42 0.629 . . . . 0.0 110.197 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.521 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 57.5 mm-40 . . . . . 0 N--CA 1.495 1.793 0 CA-C-O 117.878 -1.058 . . . . 0.0 109.044 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.29 0.567 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.27 -174.18 4.38 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.371 -0.831 . . . . 0.0 109.397 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.463 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 90.2 t -74.65 142.66 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.431 -0.793 . . . . 0.0 109.01 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 11.3 m-70 -150.01 145.73 26.59 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.438 -0.789 . . . . 0.0 109.786 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -84.62 94.21 8.56 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.402 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.1 p -87.81 125.0 66.24 Favored Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.185 -0.947 . . . . 0.0 109.198 -179.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -48.23 140.12 20.49 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 121.78 1.653 . . . . 0.0 113.524 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.48 -31.7 72.6 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.834 0.826 . . . . 0.0 109.298 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.9 p -62.03 -28.46 69.6 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.806 -0.558 . . . . 0.0 112.146 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.8 m -101.62 24.97 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 120.85 -1.156 . . . . 0.0 111.393 -178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.3 mt -91.86 126.18 36.85 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.698 -1.251 . . . . 0.0 108.867 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.8 mt -93.95 118.68 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.401 -0.812 . . . . 0.0 110.194 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -134.15 95.33 16.89 Favored Pre-proline 0 N--CA 1.494 1.77 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -97.43 30.53 0.15 Allowed 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 123.103 2.535 . . . . 0.0 112.004 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tp -140.55 124.72 10.63 Favored Pre-proline 0 N--CA 1.498 1.942 0 O-C-N 121.212 -0.93 . . . . 0.0 109.066 -178.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -76.55 167.12 26.13 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.94 1.76 . . . . 0.0 111.787 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.9 m -155.78 162.12 40.55 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.06 -1.025 . . . . 0.0 109.879 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.458 ' CG1' ' O ' ' A' ' 56' ' ' VAL . 2.8 p -99.81 116.98 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.2 mt -98.67 145.89 26.42 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 122.234 1.016 . . . . 0.0 110.826 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -100.81 133.56 21.05 Favored Pre-proline 0 C--N 1.298 -1.636 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.095 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -75.74 -16.75 18.45 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 122.002 1.801 . . . . 0.0 113.145 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.541 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -86.89 -43.02 12.75 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.999 -1.063 . . . . 0.0 109.994 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -70.66 -31.88 68.95 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.269 -0.894 . . . . 0.0 109.677 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.7 t -68.4 -35.94 72.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.922 -1.111 . . . . 0.0 108.968 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -66.73 -35.6 80.49 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.432 ' O ' ' OG1' ' A' ' 68' ' ' THR . 36.0 t -65.94 -38.0 87.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.34 -0.85 . . . . 0.0 109.216 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.54 -46.63 30.99 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.235 -0.915 . . . . 0.0 108.68 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.7 t -55.17 -34.64 33.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.72 -33.43 58.17 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.467 -0.771 . . . . 0.0 109.622 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 64' ' ' SER . 5.0 m -67.61 -51.74 46.67 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.145 -0.972 . . . . 0.0 109.402 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.609 ' CG2' HH12 ' A' ' 110' ' ' ARG . 16.7 mt -57.9 -41.4 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.376 -0.827 . . . . 0.0 109.151 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.449 ' NE ' ' CD2' ' A' ' 108' ' ' LEU . 59.7 mtt180 -77.04 -32.56 57.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.276 -0.89 . . . . 0.0 110.373 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -86.11 -35.66 20.07 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.845 -1.159 . . . . 0.0 109.855 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -159.41 100.67 1.54 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.231 -0.918 . . . . 0.0 109.439 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.6 -8.7 21.94 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.522 1.482 . . . . 0.0 113.175 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.445 ' C ' ' H ' ' A' ' 76' ' ' VAL . 51.3 m-20 -86.39 -29.99 22.48 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.788 -1.195 . . . . 0.0 110.436 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.483 ' H ' ' HG ' ' A' ' 75' ' ' SER . 3.3 p -77.9 21.27 0.32 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.862 -1.148 . . . . 0.0 109.401 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.445 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.1 t -126.98 103.83 23.36 Favored Pre-proline 0 N--CA 1.499 2.003 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -75.9 162.21 35.1 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 121.75 1.633 . . . . 0.0 113.031 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.18 172.37 16.14 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.852 2.368 . . . . 0.0 112.116 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 pt -112.5 165.91 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -88.82 135.58 33.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.266 -0.896 . . . . 0.0 108.731 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.0 t -136.96 138.74 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.438 -0.789 . . . . 0.0 109.191 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 mt -86.53 127.76 34.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.467 -0.771 . . . . 0.0 110.122 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -104.34 111.06 23.54 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.1 mt -127.82 140.75 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.358 -0.839 . . . . 0.0 109.74 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.535 ' HZ1' ' CG ' ' A' ' 91' ' ' ASP . 4.9 tttp -104.62 156.35 18.05 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.681 -0.637 . . . . 0.0 109.478 -179.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.74 -169.79 31.25 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.6 -7.15 36.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.699 -0.883 . . . . 0.0 110.778 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.431 ' C ' ' H ' ' A' ' 90' ' ' GLY . 39.8 mt-30 -129.91 39.3 3.71 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.07 -1.019 . . . . 0.0 110.806 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.433 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 67.67 -10.98 0.95 Allowed Glycine 0 N--CA 1.493 2.48 0 O-C-N 121.125 -0.984 . . . . 0.0 111.674 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -51.99 109.47 0.86 Allowed Glycine 0 N--CA 1.487 2.053 0 O-C-N 120.739 -1.448 . . . . 0.0 109.712 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.535 ' CG ' ' HZ1' ' A' ' 85' ' ' LYS . 3.9 m-20 -77.49 134.3 38.37 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.423 -1.045 . . . . 0.0 109.053 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.1 m-85 -128.95 125.41 37.43 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -102.2 117.26 34.39 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.256 -0.902 . . . . 0.0 110.136 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -105.6 134.11 49.24 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.69 135.79 52.5 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.521 -0.737 . . . . 0.0 109.279 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -135.51 90.63 2.63 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 135.51 -162.53 24.89 Favored Glycine 0 N--CA 1.496 2.638 0 N-CA-C 108.754 -1.739 . . . . 0.0 108.754 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.2 24.91 0.99 Allowed Glycine 0 N--CA 1.495 2.573 0 O-C-N 121.16 -1.2 . . . . 0.0 110.372 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.5 m -58.09 -55.54 33.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.913 -1.345 . . . . 0.0 109.93 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -55.24 -39.74 70.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.04 -1.037 . . . . 0.0 109.596 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -67.46 -31.16 71.13 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.016 -1.053 . . . . 0.0 109.435 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 102' ' ' TYR . 14.5 t80 -66.86 -42.17 86.08 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.955 -1.091 . . . . 0.0 108.515 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.07 -42.77 95.28 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.327 -0.858 . . . . 0.0 109.723 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.13 -46.36 89.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.188 -0.945 . . . . 0.0 109.531 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -68.9 -41.74 77.82 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.183 -0.948 . . . . 0.0 109.057 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -33.32 75.22 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.268 -0.895 . . . . 0.0 109.38 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.509 ' C ' ' H ' ' A' ' 109' ' ' GLN . 29.1 tt0 -70.89 -41.95 70.65 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.342 -0.849 . . . . 0.0 109.514 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.449 ' CD2' ' NE ' ' A' ' 70' ' ' ARG . 93.4 mt -72.05 12.67 0.38 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.208 -0.932 . . . . 0.0 109.444 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.509 ' H ' ' C ' ' A' ' 107' ' ' GLN . 50.1 mm-40 46.82 32.96 1.95 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.384 -0.822 . . . . 0.0 110.267 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.609 HH12 ' CG2' ' A' ' 69' ' ' ILE . 21.7 mmt85 -68.76 156.33 38.5 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.927 -1.108 . . . . 0.0 108.58 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.406 ' CD ' ' N ' ' A' ' 111' ' ' GLU . 5.5 mp0 -80.75 -41.02 24.21 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.406 -0.809 . . . . 0.0 110.694 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 35.0 p -133.95 177.4 7.75 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.031 -1.043 . . . . 0.0 110.58 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.58 141.44 28.34 Favored Pre-proline 0 N--CA 1.503 2.179 0 O-C-N 121.742 -0.599 . . . . 0.0 109.718 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -67.47 130.23 21.87 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 CA-C-N 120.018 1.042 . . . . 0.0 110.754 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -149.0 133.38 17.51 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.198 -0.939 . . . . 0.0 109.713 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -78.52 115.37 18.18 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.522 -0.736 . . . . 0.0 109.169 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 49.3 mt -80.55 135.09 36.03 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.082 -1.012 . . . . 0.0 109.292 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 64.4 t -136.21 111.8 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.467 -0.771 . . . . 0.0 109.025 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.521 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -49.77 131.66 21.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.228 -0.92 . . . . 0.0 109.422 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.4 m -134.27 -179.53 5.63 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.481 -0.762 . . . . 0.0 109.141 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.1 p -127.89 160.68 31.08 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.594 -0.691 . . . . 0.0 109.338 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.4 tp -55.89 -36.5 67.71 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.17 -0.956 . . . . 0.0 109.746 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.3 t -54.54 -45.98 73.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.883 -1.135 . . . . 0.0 109.505 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.22 -46.93 75.96 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.144 -0.973 . . . . 0.0 108.462 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.1 tp -58.86 -38.41 78.7 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.97 -1.081 . . . . 0.0 108.952 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.9 ttt-85 -56.59 -35.33 68.09 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.223 -0.923 . . . . 0.0 109.211 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 81.6 t -59.44 -33.72 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -90.47 -48.7 6.94 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.301 -0.874 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 131' ' ' ALA . 65.9 mt -115.7 44.12 1.95 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.431 -0.793 . . . . 0.0 110.319 -178.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.79 39.0 0.1 Allowed Glycine 0 N--CA 1.488 2.131 0 C-N-CA 119.944 -1.122 . . . . 0.0 110.37 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.6 -57.77 0.12 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.806 -1.408 . . . . 0.0 109.623 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.4 m -98.72 36.55 1.64 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.077 -1.015 . . . . 0.0 109.26 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.1 119.04 75.07 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.404 -0.81 . . . . 0.0 109.884 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -81.33 -174.33 2.16 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.029 1.819 . . . . 0.0 111.422 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.468 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 46.1 t0 -106.09 130.18 54.04 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.425 -0.797 . . . . 0.0 109.001 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.531 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.1 mt -89.84 137.06 32.65 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.525 0.678 . . . . 0.0 110.331 -179.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 61.6 mm-40 . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.289 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.774 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.32 -174.12 4.12 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.336 -0.852 . . . . 0.0 109.384 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.2 t -74.62 141.35 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.344 -0.847 . . . . 0.0 108.787 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -145.88 147.58 31.93 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.23 -0.918 . . . . 0.0 109.781 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -84.3 93.09 8.15 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.405 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.6 p -88.05 122.61 69.87 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.188 -0.945 . . . . 0.0 108.672 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -47.06 143.02 10.53 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 121.683 1.588 . . . . 0.0 113.39 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.2 mt -69.98 -29.59 66.73 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.262 -0.899 . . . . 0.0 109.174 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.1 t -71.64 -12.22 61.23 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.516 -0.74 . . . . 0.0 112.54 -177.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 m -113.84 26.22 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.239 0 O-C-N 120.652 -1.28 . . . . 0.0 110.674 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.4 mt -97.78 123.46 41.73 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.974 -1.079 . . . . 0.0 108.908 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.2 mt -87.93 118.88 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.255 -0.903 . . . . 0.0 109.992 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.0 mtp-105 -133.96 93.44 20.28 Favored Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 121.759 -0.588 . . . . 0.0 109.508 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -99.38 29.52 0.13 Allowed 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 123.169 2.58 . . . . 0.0 112.175 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tt -142.03 88.15 9.42 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 121.155 -0.966 . . . . 0.0 109.897 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -48.64 169.51 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.299 1.999 . . . . 0.0 111.964 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m -158.02 165.6 34.66 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.138 -0.977 . . . . 0.0 110.026 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.458 ' CG1' ' O ' ' A' ' 56' ' ' VAL . 2.8 p -95.97 116.76 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.0 mt -96.51 146.2 25.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.106 -0.996 . . . . 0.0 111.028 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -98.85 134.35 21.61 Favored Pre-proline 0 C--N 1.298 -1.632 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.002 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.533 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 92.4 Cg_endo -76.63 -16.18 16.85 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.922 1.748 . . . . 0.0 113.125 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.54 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -87.27 -44.18 11.63 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.866 -1.146 . . . . 0.0 110.036 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -31.6 70.94 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.278 -0.888 . . . . 0.0 109.624 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.8 t -67.5 -53.6 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.993 -1.067 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.533 ' NE2' ' O ' ' A' ' 59' ' ' PRO . 1.4 mt-30 -54.08 -38.67 65.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.208 -0.933 . . . . 0.0 109.043 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.5 t -61.57 -37.73 84.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -0.888 . . . . 0.0 109.34 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.55 -47.86 24.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.294 -0.879 . . . . 0.0 108.852 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.6 t -54.41 -28.7 19.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -75.16 -41.8 57.39 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.482 -0.761 . . . . 0.0 109.723 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.8 m -63.59 -50.09 70.79 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.306 -0.871 . . . . 0.0 109.193 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.9 mt -58.04 -40.72 78.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.456 -0.777 . . . . 0.0 109.213 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -76.29 -31.98 58.53 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.325 -0.86 . . . . 0.0 110.444 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -83.3 -36.46 24.45 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.785 -1.197 . . . . 0.0 109.623 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -158.42 96.41 1.83 Allowed Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.385 -0.822 . . . . 0.0 109.329 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.64 -17.56 29.62 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 121.595 1.53 . . . . 0.0 113.605 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -94.12 3.41 55.34 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.729 -1.232 . . . . 0.0 110.359 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.5 m -106.65 14.35 27.03 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.157 -0.964 . . . . 0.0 110.133 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -112.84 136.19 21.64 Favored Pre-proline 0 N--CA 1.501 2.102 0 O-C-N 121.29 -0.881 . . . . 0.0 108.635 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -79.56 162.7 24.59 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 121.879 1.719 . . . . 0.0 113.259 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -82.23 170.8 13.16 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.795 2.33 . . . . 0.0 111.63 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 pt -109.16 163.63 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -89.28 132.71 34.78 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.187 -0.946 . . . . 0.0 108.48 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.89 139.0 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.393 -0.817 . . . . 0.0 109.188 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.7 mt -85.76 131.61 34.29 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.475 -0.765 . . . . 0.0 110.074 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -109.8 105.01 14.06 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 54.8 mt -122.27 147.78 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.354 -0.841 . . . . 0.0 109.97 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.564 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 37.9 mttp -109.17 157.0 19.19 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 121.562 0.696 . . . . 0.0 109.517 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.64 -172.36 36.31 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.75 -6.97 23.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.663 -0.904 . . . . 0.0 110.73 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -128.95 32.92 4.68 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.069 -1.019 . . . . 0.0 110.658 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.59 -14.19 4.5 Favored Glycine 0 N--CA 1.495 2.584 0 O-C-N 121.148 -0.97 . . . . 0.0 111.18 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.47 106.29 0.17 Allowed Glycine 0 N--CA 1.487 2.074 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.564 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 8.8 m-20 -76.11 134.84 39.89 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.465 -1.021 . . . . 0.0 109.137 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 99.0 m-85 -128.7 148.91 50.86 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -121.65 118.92 30.36 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.347 -0.846 . . . . 0.0 110.054 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -108.51 133.38 52.73 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 t -124.37 134.54 53.11 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.534 -0.729 . . . . 0.0 109.328 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -134.87 88.67 2.45 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 133.96 -164.02 24.47 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 108.883 -1.687 . . . . 0.0 108.883 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 46.7 13.58 0.09 OUTLIER Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.532 ' N ' ' O ' ' A' ' 97' ' ' GLY . 8.0 m -50.14 -49.13 52.99 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.015 -1.285 . . . . 0.0 109.541 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -57.29 -41.31 79.53 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.193 -0.942 . . . . 0.0 109.563 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -67.03 -30.07 70.05 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.986 -1.071 . . . . 0.0 109.381 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -67.29 -43.86 80.7 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.888 -1.133 . . . . 0.0 108.508 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.55 -48.21 81.63 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.308 -0.87 . . . . 0.0 109.572 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.19 -47.87 82.08 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.182 -0.949 . . . . 0.0 109.274 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -65.27 -35.58 81.46 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.269 -0.895 . . . . 0.0 108.841 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -70.69 -36.54 73.35 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.241 -0.912 . . . . 0.0 109.616 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -67.13 -31.67 72.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.339 -0.851 . . . . 0.0 109.55 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.4 mt -82.4 6.46 17.07 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.253 -0.905 . . . . 0.0 109.659 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 50.8 22.08 1.07 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.339 -0.851 . . . . 0.0 110.347 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -57.27 154.92 9.62 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.943 -1.098 . . . . 0.0 108.415 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -79.91 -41.92 25.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.312 -0.867 . . . . 0.0 110.389 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 33.5 p -133.02 176.96 8.04 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.972 -1.08 . . . . 0.0 110.839 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.8 tt -137.58 141.94 35.18 Favored Pre-proline 0 N--CA 1.499 1.975 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -84.95 119.75 2.2 Favored 'Trans proline' 0 N--CA 1.482 0.838 0 CA-C-N 120.269 1.132 . . . . 0.0 110.92 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -135.37 138.57 43.47 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 121.599 0.714 . . . . 0.0 110.282 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -71.6 115.54 10.9 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.4 mt -80.83 138.18 36.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.962 -1.086 . . . . 0.0 109.244 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 97.7 t -134.29 110.78 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.526 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -48.83 138.62 10.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.186 -0.946 . . . . 0.0 109.442 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.1 m -141.34 -179.0 5.87 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.274 -0.891 . . . . 0.0 109.253 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.1 p -130.67 162.28 29.76 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.544 -0.722 . . . . 0.0 109.368 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 22.9 tp -56.23 -34.41 66.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.905 -1.122 . . . . 0.0 109.605 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.6 t -55.23 -45.46 75.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.874 -1.141 . . . . 0.0 109.212 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -54.95 -42.65 72.6 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.9 tp -63.72 -32.0 73.35 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.204 -0.935 . . . . 0.0 109.123 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -62.83 -34.06 76.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.862 -1.149 . . . . 0.0 109.042 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.29 -34.21 62.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 121.207 -0.933 . . . . 0.0 108.67 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -90.51 -47.5 7.67 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.281 -0.887 . . . . 0.0 110.821 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 131' ' ' ALA . 60.6 mt -119.55 46.19 1.97 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.462 -0.774 . . . . 0.0 110.283 -177.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.68 38.94 0.1 Allowed Glycine 0 N--CA 1.489 2.188 0 C-N-CA 120.006 -1.093 . . . . 0.0 110.395 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.65 -55.88 0.1 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.796 -1.414 . . . . 0.0 109.502 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.8 t -99.84 36.04 1.9 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.191 -0.943 . . . . 0.0 109.363 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.35 117.04 60.22 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.278 -0.889 . . . . 0.0 109.563 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -74.55 -177.81 3.6 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.606 1.538 . . . . 0.0 111.782 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.502 ' OD1' ' NE2' ' A' ' 137' ' ' GLN . 45.5 t0 -104.88 118.1 35.7 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.532 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 97.9 mt -82.72 139.79 33.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.505 -0.747 . . . . 0.0 110.306 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.532 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 63.8 mm-40 . . . . . 0 N--CA 1.496 1.874 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.319 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.945 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -155.71 -174.66 5.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.242 -0.911 . . . . 0.0 109.897 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -76.78 142.13 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -145.42 163.19 35.39 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.207 -0.933 . . . . 0.0 109.789 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 43' ' ' ASN . 10.0 p30 -102.85 94.09 5.4 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.41 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.1 p -87.06 125.7 65.42 Favored Pre-proline 0 N--CA 1.497 1.878 0 O-C-N 121.258 -0.901 . . . . 0.0 109.538 -178.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -47.95 139.77 19.54 Favored 'Trans proline' 0 N--CA 1.499 1.803 0 C-N-CA 121.755 1.637 . . . . 0.0 113.453 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mt -67.5 -29.47 68.9 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.266 -0.896 . . . . 0.0 108.997 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -66.46 -19.07 65.7 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.593 -0.692 . . . . 0.0 112.17 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.8 m -110.77 24.06 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.269 0 O-C-N 120.698 -1.252 . . . . 0.0 110.877 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.5 mt -89.95 123.38 33.82 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.727 -1.233 . . . . 0.0 108.991 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.6 mt -94.1 116.29 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.323 -0.861 . . . . 0.0 109.783 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.5 mtp-105 -135.42 96.19 14.0 Favored Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 121.665 -0.647 . . . . 0.0 109.515 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -95.51 26.97 0.27 Allowed 'Trans proline' 0 C--N 1.314 -1.258 0 C-N-CA 122.883 2.389 . . . . 0.0 111.878 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 tt -141.76 94.75 7.22 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 121.351 -0.843 . . . . 0.0 109.378 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.81 166.61 28.92 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 121.554 1.503 . . . . 0.0 111.726 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m -147.46 168.06 22.86 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.108 -0.995 . . . . 0.0 110.011 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.475 ' CG1' ' O ' ' A' ' 56' ' ' VAL . 3.7 p -85.53 110.94 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 72.4 mt -92.09 146.86 23.39 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.01 -1.056 . . . . 0.0 110.582 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 3.1 t70 -103.13 137.27 19.21 Favored Pre-proline 0 C--N 1.299 -1.597 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -75.75 -15.93 18.87 Favored 'Trans proline' 0 N--CA 1.496 1.656 0 C-N-CA 121.973 1.782 . . . . 0.0 112.66 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.413 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.73 -38.63 18.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.06 -1.025 . . . . 0.0 109.808 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -74.53 -31.91 62.29 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.154 -0.967 . . . . 0.0 109.512 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.25 -36.03 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.994 -1.066 . . . . 0.0 108.868 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -64.59 -40.93 96.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.285 -0.884 . . . . 0.0 109.17 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.3 t -61.55 -37.65 84.56 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.315 -0.866 . . . . 0.0 109.298 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mt -75.07 -47.92 26.43 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.283 -0.886 . . . . 0.0 108.669 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.2 t -55.77 -32.61 32.24 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -76.5 -34.67 58.61 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.531 -0.73 . . . . 0.0 109.647 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 72' ' ' ASP . 5.4 m -67.41 -51.16 55.2 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.073 -1.017 . . . . 0.0 109.393 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.4 mt -57.91 -40.87 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.432 -0.793 . . . . 0.0 109.169 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.9 mtp85 -76.68 -33.46 58.25 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.279 -0.888 . . . . 0.0 110.156 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -87.06 -35.27 18.83 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.822 -1.174 . . . . 0.0 110.2 -179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 68' ' ' THR . 34.7 t0 -157.42 97.36 1.99 Allowed Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.167 -0.958 . . . . 0.0 109.663 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.54 -3.86 14.47 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 121.556 1.504 . . . . 0.0 112.911 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -91.21 -28.47 17.8 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.951 -1.093 . . . . 0.0 110.956 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.4 t -84.2 22.74 1.16 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.705 -1.247 . . . . 0.0 109.561 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 t -118.38 104.07 48.36 Favored Pre-proline 0 N--CA 1.5 2.031 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -75.07 162.37 37.06 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 121.626 1.551 . . . . 0.0 113.045 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.64 171.68 17.71 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.915 2.41 . . . . 0.0 112.151 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.1 pt -110.29 163.17 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.63 128.32 34.53 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.0 t -132.75 137.46 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.355 -0.84 . . . . 0.0 109.038 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.7 mt -86.23 133.05 33.86 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.571 -0.706 . . . . 0.0 110.11 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -110.27 107.36 17.09 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 35.2 mt -125.37 146.04 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 121.363 -0.836 . . . . 0.0 109.8 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.545 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 38.3 mttp -108.61 157.11 18.8 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-O 121.583 0.706 . . . . 0.0 109.565 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.71 -170.57 31.45 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.96 -5.88 19.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.79 -0.829 . . . . 0.0 110.797 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -128.92 30.71 5.03 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.183 -0.948 . . . . 0.0 110.591 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.79 -13.68 4.01 Favored Glycine 0 N--CA 1.495 2.57 0 C-N-CA 120.15 -1.024 . . . . 0.0 110.947 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.52 109.78 0.58 Allowed Glycine 0 N--CA 1.486 2.006 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.545 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 11.6 m-20 -77.88 134.36 37.95 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.421 -1.046 . . . . 0.0 108.89 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 96.1 m-85 -129.32 131.09 46.86 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -105.81 119.94 40.44 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.298 -0.877 . . . . 0.0 110.143 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -107.5 142.52 37.24 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.44 136.34 47.89 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.531 -0.731 . . . . 0.0 109.402 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -137.97 91.28 2.56 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 132.64 -164.2 24.02 Favored Glycine 0 N--CA 1.497 2.723 0 N-CA-C 108.574 -1.81 . . . . 0.0 108.574 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.88 15.63 0.11 Allowed Glycine 0 N--CA 1.493 2.452 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 97' ' ' GLY . 6.5 m -49.81 -51.81 36.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.073 -1.251 . . . . 0.0 109.916 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -59.75 -36.32 76.4 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.105 -0.997 . . . . 0.0 109.576 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -68.27 -29.32 68.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.965 -1.084 . . . . 0.0 109.433 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -68.15 -42.94 79.32 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.995 -1.066 . . . . 0.0 108.81 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.12 -46.65 85.22 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.302 -0.874 . . . . 0.0 109.719 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.06 -46.56 82.38 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.219 -0.926 . . . . 0.0 109.497 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -68.19 -38.28 81.85 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.163 -0.961 . . . . 0.0 109.133 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -67.99 -33.31 74.38 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.178 -0.951 . . . . 0.0 109.551 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -72.56 -38.63 67.89 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.344 -0.848 . . . . 0.0 110.007 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.6 mt -76.58 8.68 3.32 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.166 -0.958 . . . . 0.0 109.863 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 45.15 60.31 3.07 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.293 -0.879 . . . . 0.0 110.197 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -93.18 161.62 14.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.093 -1.004 . . . . 0.0 108.612 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -82.41 -42.73 18.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.298 -0.876 . . . . 0.0 109.842 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 37.2 p -135.52 177.35 7.89 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.983 -1.073 . . . . 0.0 110.033 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.1 tt -138.43 141.0 29.92 Favored Pre-proline 0 N--CA 1.504 2.235 0 O-C-N 121.69 -0.631 . . . . 0.0 109.772 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -68.54 131.09 22.2 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 CA-C-N 120.022 1.044 . . . . 0.0 110.625 178.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -150.27 129.45 12.76 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.142 -0.973 . . . . 0.0 109.992 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -70.9 116.73 11.53 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.4 mt -83.76 137.45 33.73 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.954 -1.091 . . . . 0.0 109.428 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.6 t -137.55 111.88 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.517 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -48.78 138.98 10.4 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.166 -0.959 . . . . 0.0 109.46 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.6 m -141.88 -178.87 5.89 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.278 -0.889 . . . . 0.0 109.426 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.1 p -129.06 160.63 32.17 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.489 -0.757 . . . . 0.0 109.536 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.5 tp -55.54 -35.23 65.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.156 -0.965 . . . . 0.0 109.596 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.5 t -53.88 -45.31 71.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.915 -1.116 . . . . 0.0 109.03 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -55.23 -41.36 71.99 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.229 -0.919 . . . . 0.0 108.619 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.5 tp -64.95 -32.06 73.59 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.069 -1.019 . . . . 0.0 109.137 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -64.12 -34.84 78.97 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.869 -1.145 . . . . 0.0 109.135 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.25 -35.13 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 121.12 -0.988 . . . . 0.0 108.618 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -90.22 -47.47 7.77 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.225 -0.922 . . . . 0.0 110.67 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 131' ' ' ALA . 62.6 mt -118.21 46.15 1.85 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.456 -0.778 . . . . 0.0 110.12 -178.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.4 38.79 0.1 OUTLIER Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -155.39 -54.93 0.09 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.855 -1.379 . . . . 0.0 109.49 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.5 m -100.02 35.59 2.02 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.186 -0.946 . . . . 0.0 109.373 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.77 116.73 57.96 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.271 -0.893 . . . . 0.0 109.519 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -75.26 -178.03 3.94 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.65 1.567 . . . . 0.0 111.797 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.526 ' OD2' ' NE2' ' A' ' 137' ' ' GLN . 26.9 t0 -103.97 118.67 37.22 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.531 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.8 mt -81.41 137.89 35.64 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.497 -0.752 . . . . 0.0 110.492 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 58.6 mm-40 . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 117.978 -1.011 . . . . 0.0 109.173 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.797 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -138.43 -174.73 3.89 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.371 -0.831 . . . . 0.0 109.524 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.517 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 92.8 t -75.15 143.52 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.382 -0.824 . . . . 0.0 109.227 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 15.2 m-70 -152.16 141.14 21.17 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.378 -0.826 . . . . 0.0 109.484 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -80.18 96.9 6.69 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.2 p -91.06 124.7 61.01 Favored Pre-proline 0 N--CA 1.498 1.934 0 O-C-N 121.151 -0.968 . . . . 0.0 108.855 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -47.99 142.15 15.96 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 121.688 1.592 . . . . 0.0 113.471 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -67.37 -34.31 77.03 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.816 0.817 . . . . 0.0 109.251 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.3 p -60.49 -34.4 74.0 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.9 -0.5 . . . . 0.0 111.91 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.7 m -94.64 18.63 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.758 -1.214 . . . . 0.0 111.569 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.1 mt -85.32 135.2 34.0 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.519 -1.363 . . . . 0.0 108.452 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.8 mt -103.69 115.85 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.525 -0.735 . . . . 0.0 109.956 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.422 ' NH2' ' HG ' ' A' ' 95' ' ' SER . 94.3 mtt-85 -133.28 95.96 17.81 Favored Pre-proline 0 N--CA 1.495 1.818 0 O-C-N 121.633 -0.667 . . . . 0.0 109.639 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -97.45 29.54 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 122.979 2.452 . . . . 0.0 111.746 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tt -140.81 87.92 10.92 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 121.315 -0.866 . . . . 0.0 109.779 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -49.09 169.42 0.1 OUTLIER 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.455 2.103 . . . . 0.0 112.015 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.6 m -156.53 165.32 36.62 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.132 -0.98 . . . . 0.0 109.893 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.8 t -97.11 110.22 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.2 mt -93.91 146.77 23.67 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.278 -0.889 . . . . 0.0 110.642 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.8 t70 -110.5 139.64 21.75 Favored Pre-proline 0 N--CA 1.492 1.642 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 179.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.57 -21.83 16.49 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.059 1.84 . . . . 0.0 113.004 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.514 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -76.14 -41.65 49.26 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.022 -1.048 . . . . 0.0 110.152 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -73.83 -38.76 64.44 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.177 -0.952 . . . . 0.0 109.509 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 75.0 t -64.73 -35.5 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.006 -1.059 . . . . 0.0 109.265 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -66.65 -38.1 86.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.19 -0.944 . . . . 0.0 108.718 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.7 t -64.59 -37.52 87.83 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.264 -0.897 . . . . 0.0 109.306 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mt -76.27 -46.58 27.32 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.269 -0.894 . . . . 0.0 108.789 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.4 t -55.41 -32.33 29.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -75.99 -35.36 59.62 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.412 -0.805 . . . . 0.0 109.508 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 m -67.32 -51.33 53.85 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.157 -0.964 . . . . 0.0 109.291 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.0 mt -57.61 -41.4 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.371 -0.831 . . . . 0.0 109.141 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -76.73 -32.77 58.01 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.247 -0.908 . . . . 0.0 110.25 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -85.38 -36.34 20.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.81 -1.182 . . . . 0.0 109.944 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -154.27 94.5 2.82 Favored Pre-proline 0 N--CA 1.494 1.728 0 O-C-N 121.261 -0.899 . . . . 0.0 109.41 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.15 -21.02 36.92 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 121.374 1.382 . . . . 0.0 112.977 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -85.52 -23.5 27.69 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.9 -1.125 . . . . 0.0 110.534 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.3 t -80.84 17.77 1.12 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.865 -1.147 . . . . 0.0 109.608 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 t -118.75 113.42 36.2 Favored Pre-proline 0 N--CA 1.499 1.993 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -76.35 162.3 33.79 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 121.66 1.573 . . . . 0.0 113.004 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.09 172.81 15.46 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.792 2.328 . . . . 0.0 112.045 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.4 pt -112.53 165.98 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.703 -0.623 . . . . 0.0 109.522 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -87.87 134.27 33.74 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 121.351 -0.843 . . . . 0.0 108.77 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.0 t -137.56 137.82 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.343 -0.848 . . . . 0.0 109.134 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.3 mt -87.43 136.52 32.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.513 -0.742 . . . . 0.0 109.449 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -116.14 108.47 16.21 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.22 148.79 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.404 -0.81 . . . . 0.0 110.182 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.528 ' HZ3' ' CG ' ' A' ' 91' ' ' ASP . 35.2 mttp -108.78 157.53 18.49 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.678 0.751 . . . . 0.0 110.0 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.07 -164.43 29.92 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.25 -6.94 43.54 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.611 -0.935 . . . . 0.0 110.783 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.452 ' C ' ' H ' ' A' ' 90' ' ' GLY . 36.7 mt-30 -131.17 40.32 3.46 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.02 -1.05 . . . . 0.0 110.696 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.4 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 65.66 -11.41 0.41 Allowed Glycine 0 N--CA 1.494 2.566 0 O-C-N 121.167 -0.958 . . . . 0.0 111.678 178.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.533 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.16 108.46 0.36 Allowed Glycine 0 N--CA 1.487 2.1 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.528 ' CG ' ' HZ3' ' A' ' 85' ' ' LYS . 4.9 m-20 -76.82 131.15 38.5 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.428 -1.042 . . . . 0.0 109.38 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.533 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 94.9 m-85 -126.72 124.59 40.12 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -98.58 119.59 37.56 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.239 -0.913 . . . . 0.0 110.143 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -107.98 131.35 54.65 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.422 ' HG ' ' NH2' ' A' ' 51' ' ' ARG . 2.4 t -122.75 131.59 53.85 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.644 -0.66 . . . . 0.0 109.356 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -131.6 88.14 2.54 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 141.65 -165.59 26.42 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 108.621 -1.792 . . . . 0.0 108.621 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.01 23.06 0.56 Allowed Glycine 0 N--CA 1.494 2.534 0 O-C-N 121.117 -1.226 . . . . 0.0 110.404 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 97' ' ' GLY . 5.2 m -53.31 -52.87 57.73 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.908 -1.348 . . . . 0.0 109.658 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -63.51 -38.37 90.88 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.118 -0.989 . . . . 0.0 109.63 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -64.6 -30.61 71.64 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.959 -1.088 . . . . 0.0 109.359 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -67.6 -42.18 82.85 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.178 -0.951 . . . . 0.0 108.611 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.39 -44.29 92.8 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.327 -0.858 . . . . 0.0 109.668 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.44 -45.0 89.38 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.167 -0.958 . . . . 0.0 109.316 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -69.42 -40.79 77.08 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.303 -0.873 . . . . 0.0 109.037 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -65.92 -33.67 76.35 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.209 -0.932 . . . . 0.0 109.611 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.433 ' C ' ' H ' ' A' ' 109' ' ' GLN . 35.1 tt0 -72.06 -39.32 69.12 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.257 -0.902 . . . . 0.0 109.81 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 98.2 mt -75.82 12.33 1.11 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.139 -0.976 . . . . 0.0 109.527 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.433 ' H ' ' C ' ' A' ' 107' ' ' GLN . 14.8 mt-30 44.99 43.02 6.88 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.385 -0.822 . . . . 0.0 110.444 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 20.6 mmt85 -79.45 155.76 28.16 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.0 -1.063 . . . . 0.0 108.574 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -79.39 -41.65 27.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.378 -0.826 . . . . 0.0 110.59 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 37.2 p -133.93 177.24 7.88 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.019 -1.051 . . . . 0.0 110.647 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.71 141.45 27.98 Favored Pre-proline 0 N--CA 1.503 2.211 0 O-C-N 121.637 -0.665 . . . . 0.0 109.832 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -68.76 131.29 22.34 Favored 'Trans proline' 0 N--CA 1.491 1.34 0 C-N-CA 120.909 1.073 . . . . 0.0 110.8 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.83 137.42 15.99 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.265 -0.897 . . . . 0.0 109.288 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.78 122.37 27.6 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 59.1 mt -78.63 138.94 38.57 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.378 -0.826 . . . . 0.0 109.149 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.0 t -133.32 101.89 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.535 HE21 ' N ' ' A' ' 120' ' ' SER . 1.4 tm0? -55.42 127.46 29.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.29 -0.881 . . . . 0.0 109.014 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.535 ' N ' HE21 ' A' ' 119' ' ' GLN . 4.9 m -134.44 -178.23 4.96 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.449 -0.782 . . . . 0.0 109.58 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.1 p -121.79 163.06 19.77 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.603 -0.686 . . . . 0.0 109.521 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.2 tp -57.28 -37.37 72.3 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.051 -1.031 . . . . 0.0 109.81 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.4 t -54.2 -40.16 67.34 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.845 -1.159 . . . . 0.0 109.592 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -62.02 -43.39 98.94 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.933 -1.104 . . . . 0.0 108.621 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.4 tp -60.19 -39.12 85.4 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.005 -1.059 . . . . 0.0 109.033 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 130' ' ' GLY . 17.3 ttp180 -56.83 -37.12 70.79 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.19 -0.944 . . . . 0.0 108.808 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 99.9 t -56.46 -34.15 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.064 -1.022 . . . . 0.0 108.319 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -90.27 -48.78 6.93 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.313 -0.867 . . . . 0.0 110.786 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 131' ' ' ALA . 72.3 mt -116.56 45.29 1.84 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.506 -0.746 . . . . 0.0 110.323 -178.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -64.94 39.1 0.1 Allowed Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.853 -1.165 . . . . 0.0 110.39 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.82 -56.24 0.11 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.856 -1.379 . . . . 0.0 109.552 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.5 p -99.65 36.21 1.83 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.155 -0.966 . . . . 0.0 109.372 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -75.86 119.59 77.87 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.269 -0.894 . . . . 0.0 109.676 -179.376 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -79.41 -174.87 2.46 Favored 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 121.862 1.708 . . . . 0.0 111.516 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.488 ' C ' HE21 ' A' ' 137' ' ' GLN . 45.4 t0 -105.71 117.5 34.17 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.533 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 97.6 mt -81.85 139.05 34.95 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.427 -0.796 . . . . 0.0 110.292 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.533 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 59.2 mm-40 . . . . . 0 N--CA 1.496 1.874 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.256 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.728 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -148.79 -174.75 4.7 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.237 -0.914 . . . . 0.0 109.779 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.518 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 91.1 t -75.24 144.23 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.476 -0.765 . . . . 0.0 109.185 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 14.5 m-70 -152.25 150.69 30.07 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.348 -0.845 . . . . 0.0 109.691 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -87.68 94.96 9.89 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.408 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.3 p -88.0 124.12 67.53 Favored Pre-proline 0 N--CA 1.497 1.907 0 O-C-N 121.097 -1.002 . . . . 0.0 108.924 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -47.02 142.87 10.56 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 121.846 1.697 . . . . 0.0 113.673 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mt -69.11 -31.26 69.84 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.408 -0.808 . . . . 0.0 109.164 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.5 t -69.14 -14.28 62.9 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.611 -0.681 . . . . 0.0 112.59 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.8 m -112.29 25.11 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.292 0 O-C-N 120.631 -1.293 . . . . 0.0 110.629 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.8 mt -89.13 139.14 30.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.899 -1.126 . . . . 0.0 108.541 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.0 mt -109.23 114.83 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.573 -0.704 . . . . 0.0 109.92 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.452 ' NH2' ' HG ' ' A' ' 95' ' ' SER . 94.4 mtt-85 -133.03 95.65 18.58 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.667 -0.646 . . . . 0.0 109.537 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -96.34 26.77 0.24 Allowed 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 122.863 2.376 . . . . 0.0 112.155 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tt -134.94 102.93 10.92 Favored Pre-proline 0 N--CA 1.502 2.129 0 O-C-N 121.366 -0.834 . . . . 0.0 109.917 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -47.42 169.4 0.06 OUTLIER 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 121.863 1.709 . . . . 0.0 112.055 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.7 m -158.5 162.64 37.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.087 -1.008 . . . . 0.0 109.989 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.448 ' O ' ' CG1' ' A' ' 56' ' ' VAL . 2.6 p -106.11 121.12 58.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.6 mt -105.55 146.71 29.26 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 122.038 0.923 . . . . 0.0 110.827 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.8 t70 -107.24 138.2 19.81 Favored Pre-proline 0 N--CA 1.49 1.533 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 178.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -76.46 -15.53 17.58 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 122.075 1.85 . . . . 0.0 113.105 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.404 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.5 -41.0 15.73 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.054 -1.029 . . . . 0.0 110.133 -179.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -74.99 -31.84 61.52 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.095 -1.003 . . . . 0.0 109.892 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 71.2 t -68.98 -35.91 71.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.009 -1.057 . . . . 0.0 109.427 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -66.76 -45.82 77.31 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.167 -0.958 . . . . 0.0 108.855 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.423 ' O ' ' OG1' ' A' ' 68' ' ' THR . 40.5 t -57.57 -38.19 74.39 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.187 -0.945 . . . . 0.0 109.321 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 mt -74.56 -50.47 17.9 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.31 -0.869 . . . . 0.0 109.118 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.6 t -55.03 -31.86 26.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -77.27 -37.22 53.37 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.56 -0.712 . . . . 0.0 109.541 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 72' ' ' ASP . 8.7 m -63.73 -51.33 65.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.408 -0.808 . . . . 0.0 109.391 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.0 mt -57.48 -41.3 78.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 121.392 -0.818 . . . . 0.0 109.178 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.56 ' HE ' ' CD2' ' A' ' 108' ' ' LEU . 36.7 mtt-85 -77.15 -30.49 55.06 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.248 -0.908 . . . . 0.0 110.465 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -90.39 -34.26 15.72 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.749 -1.22 . . . . 0.0 110.157 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' THR . 21.4 t70 -158.98 97.8 1.67 Allowed Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.176 -0.953 . . . . 0.0 109.312 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.23 -0.7 10.63 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.647 1.565 . . . . 0.0 113.025 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 75' ' ' SER . 2.7 p30 -88.73 -42.0 12.22 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.959 -1.088 . . . . 0.0 110.096 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.518 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 5.8 m -71.84 24.38 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.036 -1.04 . . . . 0.0 109.919 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.517 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.1 t -124.79 103.3 31.2 Favored Pre-proline 0 N--CA 1.501 2.088 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.535 ' O ' ' NH2' ' A' ' 101' ' ' ARG . 49.3 Cg_endo -76.62 163.07 32.27 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 121.849 1.7 . . . . 0.0 113.035 -178.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.44 173.36 14.64 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 122.875 2.383 . . . . 0.0 112.117 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 pt -112.97 167.12 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -89.82 135.3 33.71 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.206 -0.934 . . . . 0.0 108.864 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.6 t -139.6 139.0 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.348 -0.845 . . . . 0.0 109.42 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.4 mt -85.88 142.46 28.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.349 -0.844 . . . . 0.0 109.467 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.442 ' NE1' ' OD1' ' A' ' 91' ' ' ASP . 12.0 t90 -122.13 109.63 14.77 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.9 mt -128.64 147.73 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 O-C-N 121.462 -0.774 . . . . 0.0 109.973 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.543 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 41.2 mttp -107.22 157.35 17.97 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.663 0.744 . . . . 0.0 109.959 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.44 -167.77 32.63 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.51 -6.95 39.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.695 -0.885 . . . . 0.0 110.852 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -129.36 33.91 4.45 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 120.974 -1.079 . . . . 0.0 110.792 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.07 -14.17 4.0 Favored Glycine 0 N--CA 1.495 2.612 0 O-C-N 121.129 -0.982 . . . . 0.0 111.278 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.524 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -49.42 108.05 0.39 Allowed Glycine 0 N--CA 1.485 1.944 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.543 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 6.1 m-20 -77.25 134.69 38.51 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.385 -1.068 . . . . 0.0 108.75 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.524 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 99.0 m-85 -128.03 126.49 41.38 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -100.93 119.94 39.43 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.25 -0.907 . . . . 0.0 110.137 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -108.31 130.15 55.2 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.81 -0.557 . . . . 0.0 109.546 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.452 ' HG ' ' NH2' ' A' ' 51' ' ' ARG . 2.1 t -121.21 128.44 52.44 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -126.6 87.51 2.67 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 135.29 -157.59 23.22 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 108.045 -2.022 . . . . 0.0 108.045 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.88 27.67 2.45 Favored Glycine 0 N--CA 1.493 2.447 0 O-C-N 121.141 -1.211 . . . . 0.0 110.168 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.8 m -60.31 -54.79 41.47 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.039 -1.271 . . . . 0.0 110.352 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -63.06 -55.02 29.1 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.059 -1.025 . . . . 0.0 109.95 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.535 ' NH2' ' O ' ' A' ' 77' ' ' PRO . 49.0 mtp180 -53.49 -29.65 37.26 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.875 -1.141 . . . . 0.0 109.029 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -72.26 -44.58 62.62 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.224 -0.922 . . . . 0.0 108.951 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.79 -46.98 83.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.297 -0.877 . . . . 0.0 109.875 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.03 -44.37 82.84 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.274 -0.891 . . . . 0.0 110.005 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -65.39 -37.75 87.92 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.125 -0.984 . . . . 0.0 109.24 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -67.32 -31.53 71.89 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.08 -1.013 . . . . 0.0 109.822 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.423 ' C ' ' H ' ' A' ' 109' ' ' GLN . 36.0 tt0 -72.42 -35.9 68.46 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.157 -0.965 . . . . 0.0 110.258 -179.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.56 ' CD2' ' HE ' ' A' ' 70' ' ' ARG . 99.0 mt -76.76 14.58 0.79 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.12 -0.987 . . . . 0.0 109.783 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.423 ' H ' ' C ' ' A' ' 107' ' ' GLN . 27.4 mt-30 44.81 30.63 0.56 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.386 -0.821 . . . . 0.0 110.421 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -64.18 159.53 20.42 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.053 -1.029 . . . . 0.0 108.752 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -82.75 -43.25 17.0 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.506 -0.746 . . . . 0.0 109.863 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 35.3 p -133.79 177.69 7.52 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.059 -1.026 . . . . 0.0 110.275 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.3 tt -137.35 141.2 33.08 Favored Pre-proline 0 N--CA 1.502 2.161 0 O-C-N 121.754 -0.591 . . . . 0.0 109.866 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -69.62 130.67 19.91 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 CA-C-N 120.102 1.072 . . . . 0.0 110.588 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.84 134.9 13.93 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.228 -0.92 . . . . 0.0 109.462 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -77.53 117.81 19.34 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.295 -0.878 . . . . 0.0 109.002 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 57.2 mt -76.61 139.58 40.68 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.155 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.4 t -133.63 101.85 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.604 HE21 ' N ' ' A' ' 120' ' ' SER . 1.4 tm0? -55.5 130.65 43.63 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.248 -0.907 . . . . 0.0 109.013 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.604 ' N ' HE21 ' A' ' 119' ' ' GLN . 4.9 m -138.83 -179.21 5.69 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.328 -0.857 . . . . 0.0 109.779 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.4 p -119.75 160.83 21.82 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 121.593 0.711 . . . . 0.0 109.443 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.9 tp -54.94 -34.51 63.3 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.156 -0.965 . . . . 0.0 109.707 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.5 m -53.94 -45.96 71.4 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.901 -1.124 . . . . 0.0 109.143 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -55.18 -42.42 73.2 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.163 -0.961 . . . . 0.0 108.695 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.7 tp -63.19 -32.24 73.59 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.981 -1.074 . . . . 0.0 108.999 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.7 ttt-85 -63.68 -33.94 76.75 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.965 -1.084 . . . . 0.0 109.117 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 87.8 t -60.94 -34.48 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 121.158 -0.964 . . . . 0.0 108.6 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -90.28 -47.91 7.48 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.321 -0.862 . . . . 0.0 110.689 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 131' ' ' ALA . 66.3 mt -118.21 45.95 1.89 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.505 -0.747 . . . . 0.0 110.071 -178.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.44 38.52 0.1 OUTLIER Glycine 0 N--CA 1.49 2.272 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.76 -55.35 0.1 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.828 -1.395 . . . . 0.0 109.472 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 39.0 m -100.16 35.54 2.05 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.175 -0.953 . . . . 0.0 109.333 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.55 116.69 55.71 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.256 -0.903 . . . . 0.0 109.581 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -75.98 -178.69 4.55 Favored 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 121.607 1.538 . . . . 0.0 111.654 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.472 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 45.8 t0 -102.45 129.01 48.83 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.529 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 94.6 mt -91.84 137.47 32.34 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 121.482 0.658 . . . . 0.0 110.241 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 60.4 mm-40 . . . . . 0 N--CA 1.498 1.93 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.295 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.88 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.02 -175.1 4.83 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.194 -0.941 . . . . 0.0 109.761 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.518 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 86.6 t -76.02 144.66 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.543 -0.723 . . . . 0.0 109.08 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 14.7 m-70 -151.82 140.91 21.24 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.304 -0.872 . . . . 0.0 109.702 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -81.32 95.79 7.1 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.423 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.1 p -88.87 123.38 67.75 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 121.109 -0.994 . . . . 0.0 109.16 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -48.02 140.45 18.89 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 121.781 1.654 . . . . 0.0 113.373 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.66 -30.79 71.13 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.392 -0.817 . . . . 0.0 109.281 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p -62.89 -27.12 69.14 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.777 -0.577 . . . . 0.0 112.11 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.0 m -104.26 24.54 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 O-C-N 120.863 -1.148 . . . . 0.0 111.342 -178.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.6 mt -90.63 138.65 31.4 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.708 -1.245 . . . . 0.0 108.583 178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 63.6 mt -107.41 123.74 62.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.609 -0.682 . . . . 0.0 109.878 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 64.1 mtt85 -132.26 96.03 20.21 Favored Pre-proline 0 N--CA 1.496 1.855 0 O-C-N 121.516 -0.74 . . . . 0.0 109.666 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -95.19 22.63 0.43 Allowed 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 123.132 2.555 . . . . 0.0 112.417 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 mp -140.19 132.57 14.68 Favored Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.189 -0.944 . . . . 0.0 108.829 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -75.51 167.66 26.09 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.199 1.933 . . . . 0.0 112.275 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.9 m -151.81 162.48 40.97 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.253 -0.905 . . . . 0.0 109.687 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.441 ' CG1' ' O ' ' A' ' 56' ' ' VAL . 2.5 p -107.4 121.48 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.2 mt -105.2 146.6 29.04 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-O 122.049 0.928 . . . . 0.0 110.978 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 3.7 t70 -113.14 139.82 23.51 Favored Pre-proline 0 N--CA 1.49 1.574 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.13 -22.42 16.89 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 121.965 1.777 . . . . 0.0 113.003 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.46 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -78.32 -40.69 35.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.052 -1.03 . . . . 0.0 110.422 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -75.41 -32.28 60.68 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.051 -1.03 . . . . 0.0 110.028 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.8 t -69.92 -35.72 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 120.888 -1.133 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -66.98 -40.85 87.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.178 -0.951 . . . . 0.0 108.785 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.8 t -62.51 -37.69 87.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.246 -0.909 . . . . 0.0 109.316 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.3 mt -76.23 -47.26 24.6 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.311 -0.868 . . . . 0.0 109.049 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.9 t -55.25 -30.46 24.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -76.81 -39.11 52.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.593 -0.692 . . . . 0.0 109.502 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.5 m -62.09 -47.55 84.12 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.388 -0.82 . . . . 0.0 109.618 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.3 mt -64.7 -36.34 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.586 -0.697 . . . . 0.0 110.058 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 mtp-105 -78.86 -41.56 29.63 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.063 -1.023 . . . . 0.0 111.107 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -90.32 -34.13 15.83 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.812 -1.18 . . . . 0.0 111.501 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.426 ' OD2' ' OD1' ' A' ' 74' ' ' ASP . 16.4 t70 -154.71 93.64 2.79 Favored Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 120.956 -1.09 . . . . 0.0 109.433 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -83.91 8.14 4.79 Favored 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 122.089 1.86 . . . . 0.0 113.297 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.517 ' C ' ' H ' ' A' ' 76' ' ' VAL . 1.9 p30 -87.5 -46.23 9.78 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.995 -1.065 . . . . 0.0 109.822 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.51 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 6.2 m -72.04 28.17 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.217 -0.927 . . . . 0.0 109.795 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.517 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.2 t -120.49 103.2 44.4 Favored Pre-proline 0 N--CA 1.5 2.068 0 O-C-N 121.255 -0.903 . . . . 0.0 108.657 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.529 ' O ' ' NH2' ' A' ' 101' ' ' ARG . 55.5 Cg_endo -77.3 163.03 30.61 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 121.956 1.771 . . . . 0.0 113.015 -178.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.472 ' C ' ' NH2' ' A' ' 101' ' ' ARG . 71.8 Cg_endo -76.84 171.14 18.53 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.884 2.39 . . . . 0.0 112.202 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.1 pt -108.83 167.09 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.616 -0.677 . . . . 0.0 109.431 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -90.25 131.64 35.96 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 121.292 -0.88 . . . . 0.0 109.235 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.3 t -135.83 141.85 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.436 -0.79 . . . . 0.0 108.989 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mp -89.4 141.71 28.31 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.338 -0.851 . . . . 0.0 109.043 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -121.13 113.44 20.02 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.9 mt -133.69 148.97 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.349 -0.845 . . . . 0.0 110.037 -178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.521 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 27.7 mttp -108.12 157.6 18.14 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.808 0.813 . . . . 0.0 110.618 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.91 -173.75 36.25 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.71 -1.356 . . . . 0.0 109.71 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.18 -4.56 10.64 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.661 -0.906 . . . . 0.0 110.901 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -129.08 26.92 5.44 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.181 -0.949 . . . . 0.0 110.738 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.427 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 79.35 -14.85 14.27 Favored Glycine 0 N--CA 1.494 2.567 0 C-N-CA 119.986 -1.102 . . . . 0.0 110.925 178.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.61 109.53 0.55 Allowed Glycine 0 N--CA 1.487 2.036 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.521 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 5.9 m-20 -77.14 134.83 38.58 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.485 -1.009 . . . . 0.0 109.075 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.4 m-85 -129.8 124.35 33.14 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -101.09 122.79 44.21 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.19 -0.944 . . . . 0.0 110.059 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -113.5 132.44 55.68 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.85 136.39 54.05 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -134.49 90.84 2.71 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 130.47 -158.38 22.45 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 108.379 -1.889 . . . . 0.0 108.379 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.49 24.74 1.14 Allowed Glycine 0 N--CA 1.493 2.487 0 O-C-N 121.123 -1.222 . . . . 0.0 110.408 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 4.0 m -56.21 -50.31 71.6 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.894 -1.356 . . . . 0.0 110.033 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -63.51 -53.9 44.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.061 -1.024 . . . . 0.0 109.918 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.529 ' NH2' ' O ' ' A' ' 77' ' ' PRO . 42.9 mtp180 -53.49 -31.54 46.39 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.929 -1.107 . . . . 0.0 109.182 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 102' ' ' TYR . 6.3 t80 -69.57 -39.79 77.15 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.167 -0.958 . . . . 0.0 108.687 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.74 87.68 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.34 -0.85 . . . . 0.0 110.002 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.49 -44.89 85.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.115 -0.991 . . . . 0.0 109.617 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -70.14 -41.81 73.4 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.164 -0.96 . . . . 0.0 109.177 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -31.1 71.53 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.236 -0.915 . . . . 0.0 109.33 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.505 ' C ' ' H ' ' A' ' 109' ' ' GLN . 18.3 tm0? -71.95 -45.68 60.22 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.422 -0.799 . . . . 0.0 109.521 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.58 12.78 0.22 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.316 -0.865 . . . . 0.0 109.92 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.505 ' H ' ' C ' ' A' ' 107' ' ' GLN . 25.9 mt-30 45.38 32.66 1.09 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.289 -0.882 . . . . 0.0 110.368 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 64.2 mmt-85 -63.54 159.53 18.5 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.98 -1.075 . . . . 0.0 108.699 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.43 ' N ' ' OE1' ' A' ' 111' ' ' GLU . 19.2 mp0 -81.55 -41.59 21.4 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.502 -0.749 . . . . 0.0 110.305 -179.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 34.9 p -134.4 177.18 7.96 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.029 -1.044 . . . . 0.0 110.265 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.1 tt -139.05 141.01 28.53 Favored Pre-proline 0 N--CA 1.502 2.157 0 O-C-N 121.625 -0.672 . . . . 0.0 109.817 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.12 131.41 23.59 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 CA-C-N 120.006 1.038 . . . . 0.0 110.51 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.5 134.8 15.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.107 -0.996 . . . . 0.0 109.867 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -78.29 116.77 18.96 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.481 -0.762 . . . . 0.0 109.065 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 53.5 mt -79.14 137.65 37.56 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.061 -1.025 . . . . 0.0 109.5 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 58.5 t -130.43 104.76 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 120' ' ' SER . 1.6 tm0? -60.45 126.28 26.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.317 -0.864 . . . . 0.0 108.75 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.527 ' O ' ' NE2' ' A' ' 119' ' ' GLN . 5.6 m -135.19 -179.26 5.52 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.349 -0.845 . . . . 0.0 109.658 -179.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.9 p -118.04 160.92 20.68 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.4 tp -54.73 -36.77 65.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.976 -1.077 . . . . 0.0 109.769 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 11.6 t -54.72 -46.25 74.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.877 -1.139 . . . . 0.0 109.325 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -55.23 -41.82 72.57 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.159 -0.963 . . . . 0.0 108.695 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.7 tp -63.54 -31.77 73.03 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.068 -1.02 . . . . 0.0 109.229 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 130' ' ' GLY . 25.9 ttt85 -61.31 -37.9 84.89 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.678 -1.264 . . . . 0.0 108.832 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.3 t -57.85 -35.84 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -89.96 -48.67 7.06 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.295 -0.878 . . . . 0.0 110.749 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.541 ' C ' ' H ' ' A' ' 131' ' ' ALA . 96.3 mt -115.15 44.07 1.89 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.471 -0.768 . . . . 0.0 110.019 -178.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -64.94 38.32 0.1 Allowed Glycine 0 N--CA 1.49 2.234 0 N-CA-C 110.391 -1.084 . . . . 0.0 110.391 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.541 ' H ' ' C ' ' A' ' 129' ' ' LEU . . . -154.53 -57.2 0.11 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.787 -1.419 . . . . 0.0 109.562 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 70.8 m -98.72 37.16 1.54 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.102 -0.999 . . . . 0.0 109.276 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.74 116.77 58.33 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.327 -0.858 . . . . 0.0 109.628 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -78.6 -178.83 4.92 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 121.805 1.67 . . . . 0.0 111.95 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.475 ' C ' HE21 ' A' ' 137' ' ' GLN . 40.9 t0 -101.16 114.58 28.67 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.526 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 94.1 mt -81.94 136.85 35.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.402 -0.811 . . . . 0.0 110.525 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 57.3 mm-40 . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 117.899 -1.048 . . . . 0.0 109.084 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.77 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.81 -175.01 5.13 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.263 -0.898 . . . . 0.0 109.769 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.503 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 87.4 t -75.67 144.21 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.487 -0.758 . . . . 0.0 109.088 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.503 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 13.8 m-70 -151.07 142.34 23.28 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.365 -0.835 . . . . 0.0 109.644 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -82.34 95.04 7.49 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.406 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.2 p -88.61 124.5 65.67 Favored Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 121.169 -0.957 . . . . 0.0 109.111 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -47.9 140.66 17.94 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 121.78 1.653 . . . . 0.0 113.464 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.66 -32.76 74.29 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.831 0.824 . . . . 0.0 109.417 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.2 p -62.25 -27.85 69.29 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.827 -0.546 . . . . 0.0 112.275 -177.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.0 m -101.62 25.28 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 120.833 -1.167 . . . . 0.0 111.462 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.1 mt -89.62 131.28 35.7 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.67 -1.268 . . . . 0.0 108.525 178.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.1 mt -98.3 116.93 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.368 -0.832 . . . . 0.0 109.816 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -133.57 95.19 18.08 Favored Pre-proline 0 N--CA 1.499 1.98 0 O-C-N 121.527 -0.733 . . . . 0.0 109.801 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -98.28 32.67 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 123.195 2.597 . . . . 0.0 111.924 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 mp -140.99 137.79 17.35 Favored Pre-proline 0 N--CA 1.5 2.027 0 O-C-N 121.044 -1.035 . . . . 0.0 108.969 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -75.04 167.38 27.14 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.221 1.947 . . . . 0.0 111.853 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.8 m -155.58 160.12 40.22 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.109 -0.994 . . . . 0.0 109.893 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.459 ' CG1' ' O ' ' A' ' 56' ' ' VAL . 2.6 p -108.4 118.0 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.062 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.3 mt -98.12 145.71 26.3 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 122.277 1.037 . . . . 0.0 111.035 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -103.28 134.07 19.97 Favored Pre-proline 0 C--N 1.299 -1.611 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 178.819 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.529 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 77.1 Cg_endo -75.4 -17.74 18.46 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 121.949 1.766 . . . . 0.0 113.199 -178.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.541 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -87.07 -42.85 12.74 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.922 -1.111 . . . . 0.0 110.185 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -70.24 -31.38 68.76 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.217 -0.927 . . . . 0.0 109.786 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.65 -53.43 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.949 -1.094 . . . . 0.0 109.093 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 59' ' ' PRO . 1.5 mt-30 -56.54 -39.17 72.96 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.201 -0.937 . . . . 0.0 108.786 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.428 ' O ' ' OG1' ' A' ' 68' ' ' THR . 43.5 t -61.41 -39.22 89.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.333 -0.854 . . . . 0.0 109.225 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 mt -73.36 -47.12 44.83 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.235 -0.916 . . . . 0.0 108.696 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.9 t -54.37 -35.02 29.45 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -76.05 -33.78 59.59 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.469 -0.77 . . . . 0.0 109.365 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 64' ' ' SER . 3.8 m -67.27 -51.37 53.67 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.213 -0.929 . . . . 0.0 109.258 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.53 ' CG2' HH12 ' A' ' 110' ' ' ARG . 15.5 mt -58.4 -40.9 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.402 -0.812 . . . . 0.0 109.227 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -76.68 -33.09 58.28 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.215 -0.928 . . . . 0.0 110.199 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -86.27 -36.23 19.48 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.915 -1.116 . . . . 0.0 110.027 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -158.53 100.53 1.69 Allowed Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.253 -0.904 . . . . 0.0 109.556 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.49 -9.0 22.48 Favored 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 121.505 1.47 . . . . 0.0 113.245 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.441 ' C ' ' H ' ' A' ' 76' ' ' VAL . 15.4 m-20 -86.23 -29.29 23.26 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.826 -1.171 . . . . 0.0 110.43 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 p -77.97 20.86 0.34 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.847 -1.158 . . . . 0.0 109.514 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.441 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.1 t -129.27 102.7 18.49 Favored Pre-proline 0 N--CA 1.498 1.959 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -76.91 162.36 32.29 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.833 1.688 . . . . 0.0 113.101 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.79 170.16 20.7 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.854 2.369 . . . . 0.0 112.039 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.621 ' CG2' ' HE ' ' A' ' 101' ' ' ARG . 7.7 pt -108.03 167.45 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.639 -0.663 . . . . 0.0 109.784 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -89.1 134.1 34.13 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 37.3 t -138.06 139.45 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.339 -0.851 . . . . 0.0 109.265 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.3 mt -86.92 133.15 33.63 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.401 -0.812 . . . . 0.0 109.849 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.44 ' NE1' ' OD1' ' A' ' 91' ' ' ASP . 11.3 t90 -110.78 111.36 22.48 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.6 mt -129.28 145.76 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 121.369 -0.832 . . . . 0.0 109.863 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.543 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 38.8 mttp -108.57 157.14 18.75 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.616 0.722 . . . . 0.0 109.674 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.55 -168.19 31.22 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.41 -7.13 34.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.683 -0.892 . . . . 0.0 110.778 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -129.81 33.4 4.43 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.01 -1.056 . . . . 0.0 110.77 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.04 -14.26 3.91 Favored Glycine 0 N--CA 1.495 2.587 0 C-N-CA 120.234 -0.984 . . . . 0.0 111.301 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -47.86 108.4 0.34 Allowed Glycine 0 N--CA 1.487 2.037 0 O-C-N 120.849 -1.383 . . . . 0.0 109.693 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.543 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 7.1 m-20 -77.57 135.02 38.13 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.39 -1.065 . . . . 0.0 108.815 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 98.4 m-85 -128.64 126.63 40.58 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -103.08 123.0 45.83 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.227 -0.921 . . . . 0.0 110.356 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -108.2 126.39 52.74 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.794 -0.566 . . . . 0.0 109.483 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.75 119.44 36.04 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -120.02 86.27 2.53 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 177.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 136.0 -151.83 20.85 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 108.389 -1.885 . . . . 0.0 108.389 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.76 15.29 0.1 OUTLIER Glycine 0 N--CA 1.494 2.507 0 O-C-N 121.173 -1.193 . . . . 0.0 110.132 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' A' ' 97' ' ' GLY . 5.3 m -51.23 -48.88 61.98 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -1.187 . . . . 0.0 110.125 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -66.18 -54.33 26.58 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.122 -0.986 . . . . 0.0 109.994 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.621 ' HE ' ' CG2' ' A' ' 79' ' ' ILE . 80.2 mtm-85 -53.62 -30.76 44.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.961 -1.087 . . . . 0.0 109.578 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -65.79 -43.7 87.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.025 -1.047 . . . . 0.0 108.729 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.14 96.96 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.289 -0.882 . . . . 0.0 109.626 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.3 -48.07 81.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.173 -0.954 . . . . 0.0 109.683 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -66.9 -42.53 85.32 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.165 -0.96 . . . . 0.0 108.888 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.43 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -62.55 -44.56 96.03 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.297 -0.877 . . . . 0.0 109.052 179.782 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.505 ' C ' ' H ' ' A' ' 109' ' ' GLN . 18.2 tm0? -59.46 -46.12 89.68 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.497 -0.752 . . . . 0.0 109.692 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.28 9.11 0.36 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.187 -0.946 . . . . 0.0 109.589 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.505 ' H ' ' C ' ' A' ' 107' ' ' GLN . 17.1 tp60 48.0 37.66 8.08 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.275 -0.891 . . . . 0.0 109.874 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.53 HH12 ' CG2' ' A' ' 69' ' ' ILE . 22.2 mmt85 -73.57 154.18 39.91 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.076 -1.015 . . . . 0.0 108.54 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -78.76 -41.55 30.37 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.321 -0.862 . . . . 0.0 110.351 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 36.4 p -132.1 177.49 7.52 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.093 -1.005 . . . . 0.0 110.675 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.7 tt -139.0 141.52 30.39 Favored Pre-proline 0 N--CA 1.501 2.114 0 O-C-N 121.725 -0.609 . . . . 0.0 109.745 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -68.29 130.78 21.9 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 CA-C-N 120.042 1.051 . . . . 0.0 110.706 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -149.86 134.13 17.27 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.224 -0.923 . . . . 0.0 109.575 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -78.88 112.19 15.8 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.483 -0.761 . . . . 0.0 108.96 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 57.3 mt -74.3 138.98 43.91 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.033 -1.042 . . . . 0.0 108.745 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 57.2 t -135.07 103.85 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.458 -0.776 . . . . 0.0 109.303 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.524 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.5 mp0 -46.07 135.98 7.08 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.273 -0.892 . . . . 0.0 109.609 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -143.89 -179.07 6.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.248 -0.908 . . . . 0.0 109.444 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.7 p -128.18 160.62 31.48 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.603 -0.686 . . . . 0.0 109.276 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.3 tp -54.7 -33.7 61.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.162 -0.961 . . . . 0.0 109.703 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.7 t -55.9 -44.2 78.01 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.948 -1.095 . . . . 0.0 109.463 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -58.69 -41.47 86.33 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.038 -1.039 . . . . 0.0 108.899 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.46 -38.35 89.47 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.044 -1.035 . . . . 0.0 109.136 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 130' ' ' GLY . 18.8 ttp180 -58.73 -37.56 76.44 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.051 -1.031 . . . . 0.0 108.743 179.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 83.3 t -56.7 -34.71 43.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.086 -1.009 . . . . 0.0 108.509 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -90.54 -48.37 7.13 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.282 -0.886 . . . . 0.0 110.833 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 131' ' ' ALA . 80.0 mt -115.98 44.19 1.98 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.444 -0.785 . . . . 0.0 110.317 -178.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -65.1 39.36 0.11 Allowed Glycine 0 N--CA 1.49 2.255 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.36 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.74 -57.2 0.13 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.845 -1.386 . . . . 0.0 109.483 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.2 p -99.7 35.79 1.93 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.158 -0.964 . . . . 0.0 109.288 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.8 118.52 70.92 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.303 -0.873 . . . . 0.0 109.788 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -80.48 -175.12 2.54 Favored 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 121.928 1.752 . . . . 0.0 111.291 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.518 ' OD1' ' NE2' ' A' ' 137' ' ' GLN . 43.4 t0 -105.0 128.33 53.26 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.749 0.785 . . . . 0.0 108.929 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.526 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.9 mt -89.64 137.67 32.13 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 121.485 0.659 . . . . 0.0 110.247 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 60.1 mm-40 . . . . . 0 N--CA 1.497 1.895 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.315 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.236 0.541 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -138.74 -175.06 4.0 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.359 -0.838 . . . . 0.0 109.355 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.516 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 90.6 t -75.47 143.29 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.388 -0.82 . . . . 0.0 109.292 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.516 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 15.7 m-70 -151.88 142.24 22.49 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.353 -0.842 . . . . 0.0 109.628 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -81.15 96.26 7.15 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.2 p -90.64 125.64 58.77 Favored Pre-proline 0 N--CA 1.498 1.975 0 O-C-N 121.182 -0.948 . . . . 0.0 109.052 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -47.92 141.01 17.5 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 121.869 1.713 . . . . 0.0 113.677 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mt -66.81 -33.57 75.9 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.876 0.846 . . . . 0.0 109.369 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.1 p -60.95 -27.59 68.36 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.838 -0.539 . . . . 0.0 112.175 -177.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 m -102.59 25.85 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 120.847 -1.158 . . . . 0.0 111.545 -178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.5 mt -91.38 127.61 36.88 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.674 -1.266 . . . . 0.0 108.672 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.0 mt -96.46 119.19 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.262 -0.899 . . . . 0.0 110.397 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -133.85 95.15 17.61 Favored Pre-proline 0 N--CA 1.494 1.729 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -97.96 27.97 0.17 Allowed 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 122.965 2.443 . . . . 0.0 111.679 178.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.2 tp -142.48 87.8 9.13 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.266 -0.896 . . . . 0.0 109.649 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -47.79 169.28 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.551 2.167 . . . . 0.0 112.339 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -156.85 165.52 35.97 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.919 . . . . 0.0 109.816 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.455 ' CG1' ' O ' ' A' ' 56' ' ' VAL . 2.8 p -96.98 117.84 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.3 mt -100.46 146.14 27.4 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 122.14 0.971 . . . . 0.0 110.865 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -101.2 132.85 21.4 Favored Pre-proline 0 C--N 1.299 -1.626 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 178.867 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -75.6 -17.07 18.55 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 121.975 1.783 . . . . 0.0 113.193 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.529 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -86.97 -43.1 12.62 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.983 -1.073 . . . . 0.0 110.012 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -70.08 -31.53 69.16 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.24 -0.912 . . . . 0.0 109.797 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.73 -50.68 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.911 -1.118 . . . . 0.0 108.997 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -51.16 -46.75 62.16 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.238 -0.914 . . . . 0.0 109.211 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.5 t -53.53 -40.9 65.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.271 -0.893 . . . . 0.0 109.313 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.574 ' CD2' HH21 ' A' ' 101' ' ' ARG . 5.1 mt -69.23 -46.33 67.61 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.5 t -55.35 -30.37 25.22 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.93 -35.74 59.63 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.484 -0.76 . . . . 0.0 109.875 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.1 m -68.0 -46.69 70.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.07 -1.019 . . . . 0.0 109.298 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.4 mt -62.96 -39.5 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.405 -0.809 . . . . 0.0 109.318 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 -76.87 -34.93 57.77 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.251 -0.906 . . . . 0.0 110.255 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -87.07 -35.27 18.81 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.892 -1.13 . . . . 0.0 110.43 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -155.81 96.53 2.35 Favored Pre-proline 0 N--CA 1.493 1.707 0 O-C-N 121.092 -1.005 . . . . 0.0 109.743 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.71 -3.33 13.73 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 121.588 1.526 . . . . 0.0 112.88 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -91.19 -30.04 16.89 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.921 -1.112 . . . . 0.0 110.843 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.0 m -81.96 22.43 0.78 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.669 -1.27 . . . . 0.0 109.571 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.84 104.11 47.33 Favored Pre-proline 0 N--CA 1.498 1.973 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -75.67 162.23 35.68 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 121.744 1.629 . . . . 0.0 113.045 -178.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.3 172.29 16.62 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.903 2.402 . . . . 0.0 112.187 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 pt -112.12 165.54 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -87.24 134.15 33.58 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.262 -0.899 . . . . 0.0 108.857 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.6 t -137.68 138.14 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.354 -0.841 . . . . 0.0 109.395 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.9 mt -87.33 137.75 32.07 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.537 -0.727 . . . . 0.0 110.008 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -114.8 108.42 16.73 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 29.0 mt -126.24 146.03 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.366 -0.834 . . . . 0.0 109.957 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.53 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 34.6 mttp -108.71 157.21 18.75 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 121.669 0.747 . . . . 0.0 109.788 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.23 -164.5 29.75 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.06 -7.14 44.34 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.635 -0.92 . . . . 0.0 110.9 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.463 ' C ' ' H ' ' A' ' 90' ' ' GLY . 36.9 mt-30 -130.47 40.19 3.54 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 121.025 -1.047 . . . . 0.0 110.666 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.89 -10.33 0.35 Allowed Glycine 0 N--CA 1.495 2.577 0 O-C-N 121.214 -0.929 . . . . 0.0 111.732 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.539 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.04 108.82 0.39 Allowed Glycine 0 N--CA 1.487 2.036 0 O-C-N 120.758 -1.437 . . . . 0.0 109.51 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.53 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 3.8 m-20 -76.49 130.92 38.64 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.458 -1.025 . . . . 0.0 109.21 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.539 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 94.2 m-85 -127.98 124.92 38.43 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -100.18 117.24 34.01 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.203 -0.936 . . . . 0.0 110.084 -178.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -103.98 134.1 47.82 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.63 133.33 52.27 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.531 -0.73 . . . . 0.0 109.225 179.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -132.5 90.15 2.75 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 178.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 136.52 -159.86 24.59 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 107.838 -2.105 . . . . 0.0 107.838 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.34 25.2 1.16 Allowed Glycine 0 N--CA 1.495 2.582 0 O-C-N 121.107 -1.231 . . . . 0.0 110.321 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.5 m -61.76 -56.61 17.68 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.067 -1.255 . . . . 0.0 109.877 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -60.22 -37.6 80.8 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.128 -0.983 . . . . 0.0 109.766 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.574 HH21 ' CD2' ' A' ' 65' ' ' LEU . 11.7 ttm180 -67.66 -29.92 69.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.894 -1.129 . . . . 0.0 109.477 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -66.3 -43.01 87.47 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.015 -1.053 . . . . 0.0 108.861 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.19 -45.22 91.64 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.354 -0.842 . . . . 0.0 109.717 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.66 -40.73 84.31 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.145 -0.972 . . . . 0.0 109.286 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -72.08 -42.88 65.65 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.227 -0.921 . . . . 0.0 109.016 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -61.14 -51.25 69.86 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 121.176 -0.953 . . . . 0.0 109.467 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.422 ' C ' ' H ' ' A' ' 109' ' ' GLN . 12.3 tm0? -54.64 -40.99 69.54 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.395 -0.815 . . . . 0.0 109.878 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.7 mt -72.96 7.0 2.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 109.586 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.422 ' H ' ' C ' ' A' ' 107' ' ' GLN . 32.3 mt-30 47.09 35.3 3.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.299 -0.875 . . . . 0.0 110.0 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -69.39 156.8 38.23 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.081 -1.012 . . . . 0.0 108.618 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -82.04 -42.14 19.69 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.352 -0.842 . . . . 0.0 110.581 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 33.5 p -134.29 177.2 7.94 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.016 -1.053 . . . . 0.0 110.408 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.6 tt -140.25 141.22 25.53 Favored Pre-proline 0 N--CA 1.502 2.171 0 O-C-N 121.661 -0.649 . . . . 0.0 109.867 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -67.82 131.06 23.18 Favored 'Trans proline' 0 N--CA 1.492 1.407 0 C-N-CA 120.9 1.066 . . . . 0.0 110.646 177.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.12 133.79 13.79 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.162 -0.961 . . . . 0.0 109.526 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -77.78 120.4 22.62 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.371 -0.831 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 55.8 mt -78.54 134.64 37.24 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.165 -0.96 . . . . 0.0 108.958 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 28.1 t -126.16 105.66 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.553 ' NE2' ' N ' ' A' ' 120' ' ' SER . 0.0 OUTLIER -55.84 126.13 24.33 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 118.914 -1.115 . . . . 0.0 108.006 179.246 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.553 ' N ' ' NE2' ' A' ' 119' ' ' GLN . 5.6 m -133.47 -178.37 4.96 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.284 -0.885 . . . . 0.0 109.927 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.1 p -126.72 160.85 29.61 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.47 -0.769 . . . . 0.0 109.299 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.6 tp -54.34 -33.63 59.41 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.922 -1.111 . . . . 0.0 109.481 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.0 m -55.92 -43.21 77.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.946 -1.096 . . . . 0.0 109.206 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -57.71 -42.07 82.99 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.058 -1.026 . . . . 0.0 108.58 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.61 -32.77 74.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.126 -0.984 . . . . 0.0 109.473 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -32.22 73.7 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.776 -1.202 . . . . 0.0 108.767 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.63 -34.55 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 O-C-N 121.008 -1.058 . . . . 0.0 108.451 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -90.37 -47.77 7.53 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.278 -0.889 . . . . 0.0 110.679 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.557 ' C ' ' H ' ' A' ' 131' ' ' ALA . 58.9 mt -118.09 46.65 1.74 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.574 -0.704 . . . . 0.0 110.223 -178.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.57 38.34 0.1 OUTLIER Glycine 0 N--CA 1.49 2.283 0 C-N-CA 119.939 -1.124 . . . . 0.0 110.345 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.557 ' H ' ' C ' ' A' ' 129' ' ' LEU . . . -155.65 -54.1 0.09 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.852 -1.381 . . . . 0.0 109.446 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.4 m -99.58 36.48 1.77 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.153 -0.967 . . . . 0.0 109.42 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -77.91 117.86 68.54 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.288 -0.882 . . . . 0.0 109.481 -179.555 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -80.4 -175.06 2.5 Favored 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.974 1.783 . . . . 0.0 111.596 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.467 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 48.7 t0 -104.02 128.61 51.6 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.739 0.78 . . . . 0.0 108.979 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.533 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.9 mt -91.39 138.7 31.37 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-O 121.506 0.67 . . . . 0.0 110.401 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.533 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 59.1 mm-40 . . . . . 0 N--CA 1.496 1.858 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.275 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.842 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.48 -175.12 4.65 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.213 -0.929 . . . . 0.0 109.559 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.505 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 91.6 t -75.58 143.45 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.444 -0.785 . . . . 0.0 109.192 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.505 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 14.9 m-70 -151.5 143.0 23.55 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.37 -0.831 . . . . 0.0 109.651 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -82.41 96.14 7.88 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.402 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.1 p -89.74 125.11 62.12 Favored Pre-proline 0 N--CA 1.498 1.953 0 O-C-N 121.139 -0.976 . . . . 0.0 109.126 -179.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -48.31 140.36 20.56 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 121.756 1.637 . . . . 0.0 113.55 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -66.45 -32.21 73.43 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.802 0.81 . . . . 0.0 109.298 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.4 p -62.28 -27.25 68.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.871 -0.518 . . . . 0.0 112.308 -177.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.4 m -103.09 25.81 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.26 0 O-C-N 120.778 -1.202 . . . . 0.0 111.467 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.0 mt -90.07 138.36 31.58 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.646 -1.284 . . . . 0.0 108.512 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.6 mt -105.97 116.79 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.49 -0.756 . . . . 0.0 109.867 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -133.38 96.26 17.32 Favored Pre-proline 0 N--CA 1.495 1.814 0 O-C-N 121.634 -0.666 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -96.92 28.55 0.19 Allowed 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 122.97 2.447 . . . . 0.0 111.551 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tt -140.28 105.33 6.59 Favored Pre-proline 0 N--CA 1.498 1.945 0 O-C-N 121.311 -0.868 . . . . 0.0 109.476 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.53 165.25 30.89 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 121.502 1.468 . . . . 0.0 112.009 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 m -153.94 167.79 28.57 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.996 -1.065 . . . . 0.0 109.958 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.7 t -95.32 109.46 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 72.6 mt -88.37 146.62 25.16 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.117 0.961 . . . . 0.0 110.87 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -96.9 131.69 27.37 Favored Pre-proline 0 C--N 1.298 -1.66 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -75.75 -16.69 18.47 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 121.998 1.799 . . . . 0.0 113.132 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.535 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -86.8 -43.15 12.73 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.003 -1.061 . . . . 0.0 109.999 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -70.1 -31.74 69.45 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.226 -0.921 . . . . 0.0 109.687 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.49 -35.96 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.952 -1.093 . . . . 0.0 109.125 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -66.08 -38.72 88.99 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.157 -0.965 . . . . 0.0 108.743 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.7 t -61.47 -37.76 84.77 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.27 -0.894 . . . . 0.0 109.276 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mt -73.25 -46.66 48.73 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.1 t -55.67 -30.04 26.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -76.2 -38.76 56.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.558 -0.714 . . . . 0.0 109.561 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.9 m -64.31 -51.35 63.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.374 -0.829 . . . . 0.0 109.332 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.6 mt -58.55 -40.69 79.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.414 -0.804 . . . . 0.0 109.338 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.584 ' HE ' ' CD2' ' A' ' 108' ' ' LEU . 50.6 mtt-85 -77.03 -31.67 56.47 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.258 -0.901 . . . . 0.0 110.396 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -87.26 -36.74 17.75 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.86 -1.15 . . . . 0.0 110.066 -179.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -155.68 94.26 2.54 Favored Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.233 -0.917 . . . . 0.0 109.667 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.13 -13.54 28.58 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.54 1.493 . . . . 0.0 113.189 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -93.08 2.01 56.95 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.815 -1.178 . . . . 0.0 110.047 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.3 t -106.47 19.31 20.69 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.313 -0.867 . . . . 0.0 109.518 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.9 t -124.22 115.5 27.37 Favored Pre-proline 0 N--CA 1.501 2.104 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -75.34 162.34 36.4 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 121.675 1.584 . . . . 0.0 113.141 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.53 170.56 19.7 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.802 2.335 . . . . 0.0 112.087 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.4 pt -109.78 167.38 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.696 -0.627 . . . . 0.0 109.508 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -90.35 137.0 32.71 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.275 -0.89 . . . . 0.0 108.797 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.1 t -138.28 138.58 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.33 -0.856 . . . . 0.0 109.576 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.9 mt -86.86 132.64 33.77 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.441 -0.787 . . . . 0.0 109.184 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -113.43 111.93 22.77 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.2 mt -128.64 145.0 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.45 -0.781 . . . . 0.0 109.933 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.55 ' HZ1' ' CG ' ' A' ' 91' ' ' ASP . 5.0 tttp -105.25 156.89 17.7 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.633 -0.667 . . . . 0.0 109.512 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.37 -168.81 31.57 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.49 -7.89 50.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.659 -0.906 . . . . 0.0 111.013 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -126.09 25.7 6.67 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.054 -1.029 . . . . 0.0 110.554 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.443 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 80.62 -12.72 32.88 Favored Glycine 0 N--CA 1.494 2.501 0 O-C-N 121.074 -1.016 . . . . 0.0 111.173 178.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.524 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -51.02 111.15 1.16 Allowed Glycine 0 N--CA 1.485 1.962 0 O-C-N 120.913 -1.346 . . . . 0.0 109.738 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.55 ' CG ' ' HZ1' ' A' ' 85' ' ' LYS . 3.9 m-20 -77.32 133.61 38.72 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.364 -1.08 . . . . 0.0 109.098 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.524 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.0 m-85 -127.89 123.75 35.77 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -99.68 121.3 41.03 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.217 -0.927 . . . . 0.0 110.122 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -109.34 130.33 55.5 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.56 130.36 53.47 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -129.19 89.83 2.92 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 134.23 -160.37 24.12 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 108.017 -2.033 . . . . 0.0 108.017 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.76 26.78 1.98 Allowed Glycine 0 N--CA 1.493 2.481 0 O-C-N 121.151 -1.205 . . . . 0.0 110.233 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.2 m -63.95 -57.05 10.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.035 -1.273 . . . . 0.0 110.308 -179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -56.3 -36.55 68.78 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.975 -1.078 . . . . 0.0 109.705 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.2 mtm180 -69.26 -30.9 69.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.951 -1.093 . . . . 0.0 109.59 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -65.23 -42.99 92.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.898 -1.126 . . . . 0.0 108.412 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.21 89.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.367 -0.833 . . . . 0.0 109.571 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.3 93.07 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.143 -0.973 . . . . 0.0 109.413 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -68.28 -42.71 79.12 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.174 -0.954 . . . . 0.0 108.817 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -61.6 -47.56 84.9 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.295 -0.878 . . . . 0.0 109.387 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.428 ' C ' ' H ' ' A' ' 109' ' ' GLN . 34.6 tt0 -58.03 -42.34 85.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.358 -0.839 . . . . 0.0 109.946 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.584 ' CD2' ' HE ' ' A' ' 70' ' ' ARG . 99.9 mt -73.34 7.79 2.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.111 -0.993 . . . . 0.0 109.514 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.428 ' H ' ' C ' ' A' ' 107' ' ' GLN . 10.1 tp60 45.79 40.78 6.82 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.346 -0.846 . . . . 0.0 110.087 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 72.0 mmt-85 -73.97 159.4 32.79 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.013 -1.054 . . . . 0.0 108.652 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -82.26 -42.53 18.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.381 -0.824 . . . . 0.0 110.305 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 35.1 p -134.35 177.22 7.93 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.021 -1.049 . . . . 0.0 110.615 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -140.32 141.26 25.44 Favored Pre-proline 0 N--CA 1.502 2.156 0 O-C-N 121.72 -0.613 . . . . 0.0 109.8 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -67.41 131.72 25.51 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 120.935 1.09 . . . . 0.0 110.858 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.8 133.47 13.86 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.22 -0.925 . . . . 0.0 109.54 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -77.55 114.22 16.17 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.444 -0.785 . . . . 0.0 108.98 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 61.0 mt -74.08 137.83 43.58 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.012 -1.055 . . . . 0.0 109.164 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.3 t -133.84 101.73 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.533 ' NE2' ' O ' ' A' ' 120' ' ' SER . 1.5 tm0? -54.03 128.01 28.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.268 -0.895 . . . . 0.0 108.919 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.533 ' O ' ' NE2' ' A' ' 119' ' ' GLN . 4.5 m -133.79 -178.3 4.95 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.413 -0.804 . . . . 0.0 109.591 -179.139 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.7 p -122.61 160.9 24.77 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.544 -0.723 . . . . 0.0 109.381 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.7 tp -55.91 -35.72 66.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.031 -1.043 . . . . 0.0 109.72 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 69.8 m -55.4 -38.06 68.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.928 -1.107 . . . . 0.0 109.584 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -64.85 -44.68 88.97 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.006 -1.059 . . . . 0.0 108.601 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.0 tp -59.27 -39.11 81.85 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.075 -1.016 . . . . 0.0 109.037 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 130' ' ' GLY . 1.0 OUTLIER -56.3 -40.93 75.12 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.229 -0.919 . . . . 0.0 108.82 179.206 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 97.7 t -53.44 -33.56 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.075 -1.015 . . . . 0.0 108.481 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -90.37 -48.58 7.04 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.28 -0.887 . . . . 0.0 111.008 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 131' ' ' ALA . 75.5 mt -116.96 44.28 2.1 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.451 -0.78 . . . . 0.0 110.758 -177.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -64.14 39.54 0.09 OUTLIER Glycine 0 N--CA 1.489 2.186 0 C-N-CA 119.798 -1.191 . . . . 0.0 110.548 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.97 -58.05 0.13 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.813 -1.404 . . . . 0.0 109.458 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 34.1 m -99.43 37.72 1.53 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.121 -0.987 . . . . 0.0 109.245 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -76.8 119.42 77.37 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 109.879 -179.305 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -80.56 -174.87 2.42 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.971 1.781 . . . . 0.0 111.266 178.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.474 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 42.8 t0 -106.09 128.9 54.19 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.717 0.77 . . . . 0.0 109.01 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.529 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 92.5 mt -88.53 136.35 33.03 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-O 121.43 0.633 . . . . 0.0 110.264 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 62.2 mm-40 . . . . . 0 N--CA 1.496 1.828 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.187 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.42 -175.11 4.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.228 -0.92 . . . . 0.0 109.615 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.413 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 95.1 t -82.55 143.8 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.468 -0.77 . . . . 0.0 109.085 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.413 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 25.3 m-70 -148.35 162.22 39.98 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.29 -0.881 . . . . 0.0 109.729 -179.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 43' ' ' ASN . 8.2 p30 -99.31 94.43 6.45 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.1 p -87.63 127.02 59.89 Favored Pre-proline 0 N--CA 1.497 1.915 0 O-C-N 121.285 -0.884 . . . . 0.0 109.406 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -47.96 140.44 18.61 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 121.761 1.64 . . . . 0.0 113.592 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mt -66.72 -32.36 73.61 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.783 0.801 . . . . 0.0 109.331 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.9 p -61.67 -28.21 69.23 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.824 -0.547 . . . . 0.0 112.214 -177.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.0 m -101.45 25.43 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 O-C-N 120.871 -1.143 . . . . 0.0 111.469 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.45 ' CD1' HH12 ' A' ' 51' ' ' ARG . 72.7 mt -91.76 127.54 37.25 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.663 -1.273 . . . . 0.0 108.71 178.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.7 mt -96.89 118.61 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.365 -0.834 . . . . 0.0 110.503 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.45 HH12 ' CD1' ' A' ' 49' ' ' LEU . 78.1 mtt85 -134.06 94.78 17.73 Favored Pre-proline 0 N--CA 1.495 1.794 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -97.68 28.19 0.18 Allowed 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 123.025 2.483 . . . . 0.0 112.132 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.8 tp -138.9 105.23 7.41 Favored Pre-proline 0 N--CA 1.5 2.047 0 O-C-N 121.291 -0.881 . . . . 0.0 109.899 -178.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -49.36 169.76 0.1 Allowed 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 121.971 1.78 . . . . 0.0 112.309 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.3 m -156.42 163.55 39.32 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.21 -0.931 . . . . 0.0 109.715 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.4 t -106.14 113.44 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.6 mt -97.13 146.05 25.41 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 122.205 1.002 . . . . 0.0 111.068 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -103.01 133.45 20.34 Favored Pre-proline 0 C--N 1.299 -1.6 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 178.588 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -75.62 -17.22 18.4 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 121.942 1.762 . . . . 0.0 113.246 -178.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.539 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -87.03 -44.15 11.79 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.933 -1.104 . . . . 0.0 110.033 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -68.62 -31.74 71.12 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.175 -0.953 . . . . 0.0 109.8 -179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.6 t -68.08 -35.63 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.915 -1.116 . . . . 0.0 108.959 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -65.85 -36.06 82.39 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.7 t -65.98 -37.58 86.33 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.284 -0.885 . . . . 0.0 109.49 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 mt -77.0 -43.69 33.82 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.134 -0.979 . . . . 0.0 108.79 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.15 -33.17 29.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -77.1 -35.71 56.19 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.399 -0.813 . . . . 0.0 109.788 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.4 m -66.44 -51.33 57.98 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.139 -0.975 . . . . 0.0 109.391 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.0 mt -57.57 -40.71 76.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.366 -0.834 . . . . 0.0 109.18 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.443 ' NE ' ' CD2' ' A' ' 108' ' ' LEU . 62.2 mtt180 -76.5 -32.46 58.32 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.286 -0.884 . . . . 0.0 110.211 -179.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -85.36 -36.46 20.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.835 -1.165 . . . . 0.0 109.801 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -159.04 102.49 1.57 Allowed Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.321 -0.862 . . . . 0.0 109.41 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.41 -20.65 31.49 Favored 'Trans proline' 0 N--CA 1.499 1.805 0 C-N-CA 121.439 1.426 . . . . 0.0 113.452 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.407 ' C ' ' H ' ' A' ' 76' ' ' VAL . 79.7 m-20 -83.47 -23.02 32.39 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.774 -1.204 . . . . 0.0 110.346 -179.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.7 m -75.79 14.17 0.7 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.011 -1.056 . . . . 0.0 110.121 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.407 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.1 t -125.18 95.33 41.77 Favored Pre-proline 0 N--CA 1.501 2.078 0 O-C-N 121.452 -0.78 . . . . 0.0 109.215 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.27 156.51 7.83 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 122.641 2.228 . . . . 0.0 112.618 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -74.3 170.97 19.0 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.687 2.258 . . . . 0.0 111.682 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.6 pt -108.97 167.02 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.609 -0.682 . . . . 0.0 109.466 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -91.22 140.09 30.13 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.176 -0.952 . . . . 0.0 108.737 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.7 t -140.04 139.2 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.505 -0.747 . . . . 0.0 109.601 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.3 mt -87.39 124.71 33.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.431 -0.793 . . . . 0.0 109.505 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -103.38 112.13 24.88 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 30.6 mt -128.43 146.32 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.285 -0.884 . . . . 0.0 109.93 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.518 ' HZ3' ' CG ' ' A' ' 91' ' ' ASP . 27.5 mttp -108.0 157.37 18.29 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 121.595 0.712 . . . . 0.0 109.55 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.51 -170.36 31.68 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.25 -7.15 28.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.698 -0.883 . . . . 0.0 110.79 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -129.23 32.3 4.72 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.113 -0.992 . . . . 0.0 110.634 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.85 -13.44 4.22 Favored Glycine 0 N--CA 1.495 2.603 0 O-C-N 121.09 -1.006 . . . . 0.0 111.234 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -47.83 109.51 0.48 Allowed Glycine 0 N--CA 1.487 2.057 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.518 ' CG ' ' HZ3' ' A' ' 85' ' ' LYS . 5.9 m-20 -76.96 133.24 39.26 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.507 -0.996 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 96.7 m-85 -128.71 127.53 42.29 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -102.92 115.51 30.74 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.248 -0.907 . . . . 0.0 110.17 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -103.5 134.0 47.59 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.08 134.01 51.51 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.503 -0.748 . . . . 0.0 109.118 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -132.88 90.42 2.76 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 133.93 -158.9 23.54 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 108.027 -2.029 . . . . 0.0 108.027 -179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.71 25.91 1.65 Allowed Glycine 0 N--CA 1.494 2.535 0 O-C-N 121.138 -1.213 . . . . 0.0 110.326 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.8 m -63.5 -56.69 14.11 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.073 -1.251 . . . . 0.0 110.07 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -55.41 -39.83 70.7 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.032 -1.042 . . . . 0.0 109.773 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -67.68 -31.33 71.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.945 -1.097 . . . . 0.0 109.464 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -65.81 -42.77 90.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.949 -1.094 . . . . 0.0 108.478 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.98 -40.36 84.59 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.307 -0.871 . . . . 0.0 109.669 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.05 87.92 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.161 -0.962 . . . . 0.0 109.559 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -70.01 -41.57 74.15 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.151 -0.968 . . . . 0.0 109.207 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.537 ' OE1' ' N ' ' A' ' 107' ' ' GLN . 3.0 tm0? -68.45 -39.08 81.6 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.23 -0.919 . . . . 0.0 108.819 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.537 ' N ' ' OE1' ' A' ' 106' ' ' GLN . 9.7 tm0? -62.73 -41.62 99.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.601 -0.687 . . . . 0.0 109.365 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.443 ' CD2' ' NE ' ' A' ' 70' ' ' ARG . 96.5 mt -76.65 11.34 1.7 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.255 -0.903 . . . . 0.0 109.629 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.401 ' H ' ' C ' ' A' ' 107' ' ' GLN . 6.2 tt0 46.17 46.65 13.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.336 -0.853 . . . . 0.0 110.314 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -79.96 159.75 26.18 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.988 -1.07 . . . . 0.0 108.527 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -82.02 -43.21 18.27 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.392 -0.818 . . . . 0.0 110.192 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.5 p -134.16 177.72 7.53 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.043 -1.036 . . . . 0.0 110.368 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.6 tt -139.76 141.84 29.19 Favored Pre-proline 0 N--CA 1.503 2.207 0 O-C-N 121.629 -0.67 . . . . 0.0 109.794 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -68.5 135.12 32.68 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 CA-C-N 120.088 1.067 . . . . 0.0 110.499 177.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.03 133.37 11.8 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.241 -0.912 . . . . 0.0 109.53 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.4 tttm -77.0 118.55 19.69 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.316 -0.865 . . . . 0.0 109.064 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 47.7 mt -79.23 137.28 37.34 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.217 -0.927 . . . . 0.0 108.609 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 75.4 t -136.7 103.9 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.434 -0.791 . . . . 0.0 109.463 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.526 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -46.47 130.24 10.96 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.256 -0.902 . . . . 0.0 109.53 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.4 m -136.13 -178.45 5.16 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.43 -0.794 . . . . 0.0 109.15 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.0 p -129.43 164.05 24.5 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.44 -0.788 . . . . 0.0 109.585 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 23.4 tp -57.22 -35.55 69.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.999 -1.063 . . . . 0.0 109.621 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.7 m -54.19 -45.06 72.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.91 -1.119 . . . . 0.0 109.237 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -55.43 -43.59 75.5 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 120.967 -1.083 . . . . 0.0 108.3 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.4 tp -63.29 -32.52 73.96 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.105 -0.997 . . . . 0.0 109.512 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -65.03 -26.8 68.42 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.675 -1.265 . . . . 0.0 109.155 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 57.6 t -67.6 -33.57 62.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.301 0 O-C-N 120.995 -1.066 . . . . 0.0 108.227 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -90.95 -47.17 7.74 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.351 -0.843 . . . . 0.0 110.864 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.554 ' C ' ' H ' ' A' ' 131' ' ' ALA . 59.0 mt -119.27 46.15 1.96 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.449 -0.782 . . . . 0.0 110.446 -177.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.02 38.74 0.11 Allowed Glycine 0 N--CA 1.49 2.263 0 C-N-CA 119.767 -1.206 . . . . 0.0 110.294 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.554 ' H ' ' C ' ' A' ' 129' ' ' LEU . . . -154.2 -54.46 0.1 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.842 -1.387 . . . . 0.0 109.427 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 18.5 m -100.06 35.48 2.05 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.226 -0.921 . . . . 0.0 109.346 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.2 OUTLIER -76.73 118.57 72.63 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.291 -0.88 . . . . 0.0 109.479 -179.545 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -78.88 -174.88 2.46 Favored 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 121.907 1.738 . . . . 0.0 111.63 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.482 ' C ' HE21 ' A' ' 137' ' ' GLN . 45.1 t0 -105.81 119.88 40.3 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.536 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 96.1 mt -82.11 137.79 34.92 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.555 -0.716 . . . . 0.0 110.467 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.536 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 59.8 mm-40 . . . . . 0 N--CA 1.498 1.932 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.363 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.823 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -148.3 -174.18 4.52 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.322 -0.861 . . . . 0.0 109.409 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.447 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 88.8 t -74.34 142.81 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.392 -0.818 . . . . 0.0 108.891 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 10.2 m-70 -149.62 147.56 28.27 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.391 -0.818 . . . . 0.0 109.777 -179.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -85.89 94.64 9.22 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.41 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.1 p -87.84 124.44 67.21 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.099 -1.0 . . . . 0.0 109.093 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -48.05 140.3 19.25 Favored 'Trans proline' 0 N--CA 1.499 1.852 0 C-N-CA 121.766 1.644 . . . . 0.0 113.445 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.57 -31.24 71.82 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.38 -0.825 . . . . 0.0 109.314 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 p -62.88 -27.93 69.69 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.825 -0.547 . . . . 0.0 112.259 -177.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 m -102.07 23.5 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.247 0 O-C-N 120.755 -1.216 . . . . 0.0 111.397 -178.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.7 mt -91.38 124.24 35.42 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.699 -1.251 . . . . 0.0 108.839 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.2 mt -91.09 120.49 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.478 -0.764 . . . . 0.0 110.29 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.3 mtt-85 -134.88 93.64 17.37 Favored Pre-proline 0 N--CA 1.497 1.915 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -99.31 28.95 0.13 Allowed 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 123.063 2.509 . . . . 0.0 112.276 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.3 tp -138.4 104.26 7.83 Favored Pre-proline 0 N--CA 1.501 2.102 0 O-C-N 121.26 -0.9 . . . . 0.0 109.769 -178.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.32 169.44 0.15 Allowed 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 121.812 1.674 . . . . 0.0 112.176 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.6 m -158.54 163.16 37.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.953 . . . . 0.0 109.753 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.2 t -105.65 110.45 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.9 mt -92.27 145.87 24.15 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.14 -0.975 . . . . 0.0 110.933 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -101.47 134.34 20.32 Favored Pre-proline 0 C--N 1.298 -1.668 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 178.85 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -75.23 -20.14 16.7 Favored 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 122.071 1.847 . . . . 0.0 113.071 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.541 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.09 -44.96 12.54 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.983 -1.073 . . . . 0.0 110.266 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.85 -31.4 71.21 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.181 -0.95 . . . . 0.0 109.76 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.2 -52.73 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 120.839 -1.163 . . . . 0.0 109.074 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -50.26 -39.34 44.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.242 -0.911 . . . . 0.0 109.272 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.7 t -61.79 -38.01 86.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.282 -0.886 . . . . 0.0 109.339 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.8 mt -75.66 -47.9 24.39 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.276 -0.89 . . . . 0.0 108.728 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.6 t -56.18 -32.18 33.82 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -75.99 -35.42 59.6 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.407 -0.808 . . . . 0.0 109.428 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.4 m -67.01 -51.53 53.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.176 -0.952 . . . . 0.0 109.534 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.7 mt -58.05 -40.67 77.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.365 -0.835 . . . . 0.0 109.07 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -73.25 -32.19 64.55 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.305 -0.872 . . . . 0.0 110.56 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -91.43 -38.18 12.73 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.822 -1.174 . . . . 0.0 110.262 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -155.42 98.45 2.33 Favored Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.037 -1.039 . . . . 0.0 109.704 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.48 -3.84 14.45 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.677 1.584 . . . . 0.0 112.998 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -89.57 -27.97 19.88 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.895 -1.128 . . . . 0.0 110.8 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.9 t -84.07 23.1 1.08 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.74 -1.225 . . . . 0.0 109.631 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 t -120.68 108.72 36.91 Favored Pre-proline 0 N--CA 1.5 2.056 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -76.14 162.32 34.35 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.694 1.596 . . . . 0.0 113.092 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.23 172.88 15.5 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 122.866 2.377 . . . . 0.0 112.087 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.0 pt -111.94 165.39 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.688 -0.633 . . . . 0.0 109.335 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -89.69 137.47 32.3 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.196 -0.94 . . . . 0.0 108.864 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.4 t -138.66 138.4 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.674 -0.641 . . . . 0.0 109.303 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.2 mt -88.63 130.0 35.38 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.418 -0.801 . . . . 0.0 109.627 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -107.03 112.73 25.81 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.1 mt -128.36 141.4 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.28 -0.887 . . . . 0.0 109.91 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.529 ' HZ3' ' CG ' ' A' ' 91' ' ' ASP . 1.0 OUTLIER -101.36 156.17 17.61 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.615 -0.678 . . . . 0.0 109.255 -179.479 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.04 -171.36 31.16 Favored Glycine 0 N--CA 1.497 2.719 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.29 -12.84 61.69 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.719 -0.871 . . . . 0.0 111.002 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -120.22 22.85 11.22 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.085 -1.01 . . . . 0.0 110.189 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 81.09 -10.97 45.32 Favored Glycine 0 N--CA 1.491 2.362 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.076 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.51 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -51.01 113.62 2.3 Favored Glycine 0 N--CA 1.486 2.014 0 O-C-N 120.966 -1.314 . . . . 0.0 109.861 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.529 ' CG ' ' HZ3' ' A' ' 85' ' ' LYS . 20.3 m-20 -77.79 134.18 38.07 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.44 -1.035 . . . . 0.0 109.234 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.51 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.1 m-85 -128.78 128.98 45.04 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -106.07 122.13 45.55 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.212 -0.93 . . . . 0.0 110.234 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -106.83 136.37 46.79 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.599 -0.688 . . . . 0.0 109.181 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.1 123.42 41.52 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -129.32 88.24 2.67 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 136.43 -166.99 24.63 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 108.703 -1.759 . . . . 0.0 108.703 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 46.3 14.78 0.11 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' A' ' 97' ' ' GLY . 7.3 m -49.56 -49.55 45.85 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.059 -1.259 . . . . 0.0 109.486 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -59.99 -41.8 92.86 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.165 -0.96 . . . . 0.0 109.323 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 40.9 mtm180 -66.29 -31.1 71.69 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.053 -1.029 . . . . 0.0 109.291 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.421 ' OH ' ' OE1' ' A' ' 106' ' ' GLN . 17.1 t80 -66.26 -42.71 88.15 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.986 -1.071 . . . . 0.0 108.504 179.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.93 99.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.34 -0.85 . . . . 0.0 109.537 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.98 92.4 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.233 -0.917 . . . . 0.0 109.415 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -68.34 -42.25 79.56 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.198 -0.939 . . . . 0.0 108.85 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.421 ' OE1' ' OH ' ' A' ' 102' ' ' TYR . 12.2 tt0 -62.63 -42.61 99.69 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.212 -0.93 . . . . 0.0 109.513 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -62.3 -36.29 81.68 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.312 -0.867 . . . . 0.0 109.573 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 110' ' ' ARG . 97.1 mt -80.51 16.99 1.18 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.277 -0.89 . . . . 0.0 109.488 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 41.77 26.2 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.604 -0.685 . . . . 0.0 110.864 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 108' ' ' LEU . 16.3 mmt180 -58.14 156.93 8.85 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 120.961 -1.087 . . . . 0.0 108.637 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -81.87 -41.9 20.35 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.424 -0.797 . . . . 0.0 110.34 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 35.1 p -134.31 177.46 7.74 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.031 -1.043 . . . . 0.0 110.349 -179.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.62 141.33 27.82 Favored Pre-proline 0 N--CA 1.503 2.184 0 O-C-N 121.661 -0.649 . . . . 0.0 109.632 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -66.98 130.92 24.06 Favored 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 120.941 1.094 . . . . 0.0 110.852 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -150.42 132.27 15.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.164 -0.96 . . . . 0.0 109.713 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -76.8 114.78 15.94 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.446 -0.784 . . . . 0.0 109.211 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 48.2 mt -79.31 133.58 36.63 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.962 -1.086 . . . . 0.0 109.079 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 57.9 t -134.53 116.27 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.546 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 4.0 mp0 -54.19 135.95 43.27 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.11 -0.994 . . . . 0.0 109.108 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.3 m -138.36 -179.57 5.87 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.26 -0.9 . . . . 0.0 109.248 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.2 p -127.84 161.82 28.13 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.613 -0.68 . . . . 0.0 109.406 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.8 tp -56.88 -36.84 70.57 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.15 -0.969 . . . . 0.0 109.819 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 35.1 t -54.26 -45.79 72.48 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.825 -1.172 . . . . 0.0 109.417 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.24 -46.92 76.03 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.146 -0.971 . . . . 0.0 108.449 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.8 tp -58.94 -38.47 79.07 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.024 -1.047 . . . . 0.0 108.962 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -56.56 -35.69 68.45 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.158 -0.964 . . . . 0.0 109.219 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 81.4 t -59.22 -33.41 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -90.51 -48.82 6.86 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.309 -0.869 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 131' ' ' ALA . 62.6 mt -116.08 44.25 1.98 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.454 -0.779 . . . . 0.0 110.302 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.65 39.18 0.1 OUTLIER Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.968 -1.111 . . . . 0.0 110.431 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.36 -58.87 0.13 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.853 -1.381 . . . . 0.0 109.618 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 17.8 m -98.65 36.43 1.65 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.998 -1.064 . . . . 0.0 109.248 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.35 119.8 77.7 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.3 -0.875 . . . . 0.0 109.969 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -79.16 -173.47 1.89 Allowed 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.95 1.767 . . . . 0.0 111.44 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.519 ' C ' HE21 ' A' ' 137' ' ' GLN . 44.5 t0 -109.24 121.79 45.92 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.529 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 94.2 mt -80.42 136.59 36.38 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.482 -0.761 . . . . 0.0 110.325 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 61.1 mm-40 . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.222 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 121.361 0.601 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -151.43 -175.25 5.11 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.29 -0.881 . . . . 0.0 109.534 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.425 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 91.6 t -81.97 143.31 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.369 -0.832 . . . . 0.0 109.227 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.425 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 25.3 m-70 -148.85 162.45 39.8 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.374 -0.829 . . . . 0.0 109.579 -179.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 43' ' ' ASN . 8.0 p30 -99.89 94.57 6.37 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.2 p -87.6 126.79 60.72 Favored Pre-proline 0 N--CA 1.498 1.936 0 O-C-N 121.291 -0.881 . . . . 0.0 109.442 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -48.06 140.23 19.42 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 121.807 1.671 . . . . 0.0 113.503 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.45 -31.79 72.75 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.831 0.824 . . . . 0.0 109.425 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.0 p -62.81 -27.8 69.56 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.759 -0.588 . . . . 0.0 112.28 -177.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.8 m -101.97 25.38 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.242 0 O-C-N 120.788 -1.195 . . . . 0.0 111.442 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.2 mt -90.67 128.15 36.54 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.708 -1.245 . . . . 0.0 108.56 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.4 mt -97.79 119.29 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.395 -0.816 . . . . 0.0 110.635 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 76.6 mtt-85 -134.15 94.9 17.34 Favored Pre-proline 0 N--CA 1.494 1.752 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -97.31 27.92 0.19 Allowed 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.959 2.439 . . . . 0.0 112.062 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.9 tp -138.51 105.1 7.69 Favored Pre-proline 0 N--CA 1.499 1.991 0 O-C-N 121.315 -0.866 . . . . 0.0 109.719 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -49.04 169.42 0.1 OUTLIER 'Trans proline' 0 N--CA 1.497 1.715 0 C-N-CA 121.917 1.745 . . . . 0.0 112.309 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.0 m -158.07 162.36 38.06 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.197 -0.939 . . . . 0.0 109.787 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.448 ' O ' ' CG1' ' A' ' 56' ' ' VAL . 2.6 p -106.4 120.28 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.5 mt -104.27 145.86 29.63 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 122.228 1.013 . . . . 0.0 111.009 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -102.47 134.4 19.97 Favored Pre-proline 0 C--N 1.298 -1.634 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.83 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -75.25 -20.25 16.55 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 122.023 1.815 . . . . 0.0 113.164 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.537 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.0 -43.75 13.68 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.021 -1.049 . . . . 0.0 110.235 -179.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -69.44 -31.39 69.69 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.191 -0.943 . . . . 0.0 109.903 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.1 t -67.94 -46.19 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.927 -1.108 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -58.88 -36.46 74.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.092 -1.005 . . . . 0.0 108.651 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.6 t -61.45 -37.72 84.58 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.258 -0.901 . . . . 0.0 109.165 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.1 mt -74.48 -48.03 29.77 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.2 t -54.75 -30.69 22.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -76.14 -35.35 59.28 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.501 -0.749 . . . . 0.0 109.466 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.4 m -67.63 -45.54 75.07 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.229 -0.919 . . . . 0.0 109.319 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.604 ' CG2' HH12 ' A' ' 110' ' ' ARG . 11.1 mt -65.36 -38.75 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.446 -0.784 . . . . 0.0 109.515 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mtp-105 -77.13 -35.23 56.35 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.22 -0.925 . . . . 0.0 110.327 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -90.43 -32.64 16.32 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.896 -1.128 . . . . 0.0 110.552 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.422 ' OD2' ' OD2' ' A' ' 74' ' ' ASP . 24.5 t70 -158.21 96.19 1.89 Allowed Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.014 -1.054 . . . . 0.0 109.937 -179.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -78.26 2.25 8.2 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 121.771 1.647 . . . . 0.0 112.914 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.515 ' C ' ' H ' ' A' ' 76' ' ' VAL . 1.1 p-10 -89.65 -43.23 10.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.988 -1.07 . . . . 0.0 109.938 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.401 ' OG ' ' OD2' ' A' ' 72' ' ' ASP . 6.0 m -71.86 25.58 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.035 -1.041 . . . . 0.0 109.925 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.515 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.2 t -122.23 104.71 37.59 Favored Pre-proline 0 N--CA 1.499 2.013 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -79.84 160.31 24.44 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.873 1.716 . . . . 0.0 112.758 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.24 172.15 15.45 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.842 2.361 . . . . 0.0 112.111 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 pt -110.47 165.04 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.51 134.07 33.67 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.264 -0.897 . . . . 0.0 108.652 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.2 t -138.15 138.93 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.318 -0.864 . . . . 0.0 109.479 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 mt -86.2 137.57 32.54 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.5 -0.75 . . . . 0.0 109.758 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -116.27 102.97 10.03 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.3 mt -119.21 150.58 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.41 -0.806 . . . . 0.0 109.549 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.552 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 34.2 mttp -113.46 156.92 22.66 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-O 121.83 0.824 . . . . 0.0 110.322 -179.245 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.27 -174.81 40.58 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.48 -7.11 23.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.675 -0.897 . . . . 0.0 110.862 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -126.46 24.78 6.65 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.091 -1.005 . . . . 0.0 110.664 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.29 -13.53 39.19 Favored Glycine 0 N--CA 1.495 2.602 0 O-C-N 120.964 -1.085 . . . . 0.0 111.094 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.525 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.58 108.57 0.4 Allowed Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.552 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 19.5 m-20 -77.35 134.67 38.42 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.49 -1.006 . . . . 0.0 109.351 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.525 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.4 m-85 -129.56 127.11 40.04 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -101.78 115.97 31.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.181 -0.949 . . . . 0.0 110.07 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -103.46 134.7 46.38 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.43 134.27 51.03 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.492 -0.755 . . . . 0.0 109.018 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -133.07 90.46 2.75 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 132.49 -159.31 23.36 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 107.979 -2.049 . . . . 0.0 107.979 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.7 26.52 1.85 Allowed Glycine 0 N--CA 1.494 2.552 0 O-C-N 121.158 -1.201 . . . . 0.0 110.206 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.5 m -64.19 -56.99 10.84 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.013 -1.287 . . . . 0.0 110.163 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -54.84 -37.47 66.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.9 -1.125 . . . . 0.0 109.629 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.2 mtm180 -68.21 -30.76 69.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.049 -1.032 . . . . 0.0 109.622 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -66.67 -43.46 84.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.028 -1.045 . . . . 0.0 108.8 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.8 92.98 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.275 -0.89 . . . . 0.0 109.811 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.71 -47.48 85.08 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.108 -0.995 . . . . 0.0 109.574 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -66.77 -41.55 87.53 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.135 -0.978 . . . . 0.0 108.887 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.431 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -61.59 -47.94 83.21 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.264 -0.898 . . . . 0.0 109.479 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.505 ' C ' ' H ' ' A' ' 109' ' ' GLN . 55.4 tt0 -59.38 -41.61 89.74 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.263 -0.898 . . . . 0.0 109.786 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.2 10.98 0.36 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.246 -0.909 . . . . 0.0 109.541 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.505 ' H ' ' C ' ' A' ' 107' ' ' GLN . 45.3 mm-40 45.97 30.01 0.84 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.333 -0.854 . . . . 0.0 110.232 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.604 HH12 ' CG2' ' A' ' 69' ' ' ILE . 19.8 mmt85 -65.43 155.07 36.63 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.933 -1.104 . . . . 0.0 108.55 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -81.1 -42.2 21.34 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.381 -0.825 . . . . 0.0 110.478 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.7 p -133.44 177.68 7.5 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.026 -1.047 . . . . 0.0 110.29 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.78 141.6 28.25 Favored Pre-proline 0 N--CA 1.502 2.144 0 O-C-N 121.674 -0.641 . . . . 0.0 109.715 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -67.88 135.85 36.58 Favored 'Trans proline' 0 N--CA 1.491 1.362 0 CA-C-N 120.106 1.074 . . . . 0.0 110.519 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.6 133.42 12.22 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.278 -0.889 . . . . 0.0 109.553 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -76.67 110.29 11.12 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.389 -0.819 . . . . 0.0 109.067 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 60.8 mt -71.96 137.74 47.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.917 -1.115 . . . . 0.0 108.573 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 61.5 t -136.02 104.25 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.494 -0.754 . . . . 0.0 109.451 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.523 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -46.1 133.11 9.3 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.279 -0.888 . . . . 0.0 109.601 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.1 m -138.34 178.31 7.23 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.364 -0.835 . . . . 0.0 109.226 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.434 ' N ' ' OD2' ' A' ' 124' ' ' ASP . 7.0 p -126.91 160.46 30.95 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.6 tp -53.32 -40.5 64.87 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.044 -1.035 . . . . 0.0 109.399 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 11.7 t -53.26 -40.56 64.74 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.961 -1.087 . . . . 0.0 108.613 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 124' ' ' ASP . 1.8 m-20 -56.02 -39.48 72.0 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.169 -0.957 . . . . 0.0 108.732 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.1 tp -69.41 -35.22 75.52 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.18 -0.95 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 130' ' ' GLY . 19.3 ttp180 -59.09 -38.42 79.47 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.974 -1.079 . . . . 0.0 108.451 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.43 -37.13 43.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 121.206 -0.934 . . . . 0.0 108.611 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -89.54 -47.65 7.83 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.158 -0.964 . . . . 0.0 110.942 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 131' ' ' ALA . 70.0 mt -117.31 45.87 1.81 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.438 -0.789 . . . . 0.0 110.344 -178.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -64.57 39.51 0.1 OUTLIER Glycine 0 N--CA 1.49 2.26 0 C-N-CA 119.792 -1.194 . . . . 0.0 110.448 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.91 -57.17 0.12 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.797 -1.413 . . . . 0.0 109.616 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 31.8 m -99.15 37.28 1.57 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.103 -0.998 . . . . 0.0 109.374 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -77.56 118.11 69.94 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.287 -0.883 . . . . 0.0 109.824 -179.387 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -79.8 -174.3 2.21 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.939 1.76 . . . . 0.0 111.303 178.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.47 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 46.4 t0 -104.88 127.91 52.89 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.791 0.805 . . . . 0.0 109.129 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.525 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 96.7 mt -91.06 138.54 31.53 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 121.535 0.684 . . . . 0.0 110.371 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 58.7 mm-40 . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.011 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.775 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.38 -174.82 5.02 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.283 -0.886 . . . . 0.0 109.728 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.487 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 99.5 t -75.27 143.93 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.44 -0.788 . . . . 0.0 109.05 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.487 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 12.8 m-70 -150.71 162.91 39.79 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.363 -0.835 . . . . 0.0 109.564 -179.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -101.88 94.43 5.8 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.407 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.3 p -87.29 124.87 67.53 Favored Pre-proline 0 N--CA 1.497 1.913 0 O-C-N 121.2 -0.938 . . . . 0.0 109.476 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -47.75 140.07 17.98 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 121.805 1.67 . . . . 0.0 113.397 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mt -66.75 -31.47 72.14 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 121.774 0.797 . . . . 0.0 109.31 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p -62.85 -27.34 69.27 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.794 -0.566 . . . . 0.0 112.155 -177.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.5 m -103.12 24.92 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.244 0 O-C-N 120.812 -1.18 . . . . 0.0 111.339 -178.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.8 mt -90.01 134.76 34.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.631 -1.293 . . . . 0.0 108.572 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.7 mt -102.47 115.16 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.547 -0.721 . . . . 0.0 109.727 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.5 mtt-85 -133.65 94.56 18.98 Favored Pre-proline 0 N--CA 1.496 1.873 0 O-C-N 121.628 -0.67 . . . . 0.0 109.638 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -98.94 29.95 0.13 Allowed 'Trans proline' 0 C--N 1.312 -1.364 0 C-N-CA 123.152 2.568 . . . . 0.0 111.858 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.5 tt -141.18 87.74 10.52 Favored Pre-proline 0 N--CA 1.496 1.839 0 O-C-N 121.234 -0.916 . . . . 0.0 109.941 -178.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.29 169.49 0.11 Allowed 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.4 2.067 . . . . 0.0 111.875 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -159.24 165.35 33.75 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.118 -0.988 . . . . 0.0 109.995 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 56' ' ' VAL . 2.8 p -95.32 116.47 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 179.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 75.5 mt -98.77 146.22 26.13 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 122.146 0.974 . . . . 0.0 110.907 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -100.85 133.98 20.77 Favored Pre-proline 0 C--N 1.299 -1.597 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.216 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.552 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 77.3 Cg_endo -75.49 -21.51 14.9 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 121.941 1.761 . . . . 0.0 113.113 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.53 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -82.57 -40.1 21.36 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.744 -1.222 . . . . 0.0 109.964 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -73.67 -30.78 63.1 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.231 -0.918 . . . . 0.0 109.921 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 75.7 t -71.92 -52.42 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.837 -1.164 . . . . 0.0 108.537 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.552 ' NE2' ' O ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -50.07 -39.8 43.42 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.602 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 57.5 m -62.6 -41.04 98.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.32 -0.862 . . . . 0.0 109.274 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.1 mt -71.03 -41.96 70.16 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.21 -0.931 . . . . 0.0 108.681 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.4 t -55.67 -36.53 42.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -76.46 -32.22 58.28 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.487 -0.758 . . . . 0.0 109.823 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.3 m -67.27 -51.82 48.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.144 -0.972 . . . . 0.0 109.593 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.1 mt -58.44 -41.12 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.388 -0.82 . . . . 0.0 109.164 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -77.15 -32.83 56.57 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.26 -0.9 . . . . 0.0 110.277 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -85.46 -36.03 20.86 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.842 -1.161 . . . . 0.0 109.958 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -153.67 93.76 3.01 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.308 -0.87 . . . . 0.0 109.44 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.55 -21.26 40.11 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.389 1.393 . . . . 0.0 112.85 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -84.69 -24.99 28.72 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.896 -1.127 . . . . 0.0 110.365 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.3 t -79.08 18.08 0.69 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.941 -1.1 . . . . 0.0 109.514 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 t -124.35 112.42 27.96 Favored Pre-proline 0 N--CA 1.5 2.026 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -76.6 162.19 33.27 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 121.651 1.567 . . . . 0.0 113.016 -178.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -77.19 170.77 18.99 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.847 2.365 . . . . 0.0 112.116 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.3 pt -110.0 167.72 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.693 -0.629 . . . . 0.0 109.307 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.72 139.93 30.2 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.155 -0.965 . . . . 0.0 108.806 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.3 t -139.52 139.16 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.485 -0.76 . . . . 0.0 109.357 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.6 mt -87.18 124.46 33.31 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.357 -0.84 . . . . 0.0 109.718 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -102.27 111.37 23.63 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.0 mt -127.41 138.57 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.274 -0.891 . . . . 0.0 109.979 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.56 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 2.6 tttp -100.51 156.16 17.44 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.662 -0.649 . . . . 0.0 109.384 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.02 -169.9 32.26 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.56 -7.16 36.08 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.676 -0.897 . . . . 0.0 110.696 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.436 ' C ' ' H ' ' A' ' 90' ' ' GLY . 38.8 mt-30 -129.84 39.8 3.65 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.098 -1.001 . . . . 0.0 110.763 -179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.63 -13.21 0.87 Allowed Glycine 0 N--CA 1.493 2.497 0 O-C-N 121.176 -0.953 . . . . 0.0 111.575 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.439 ' O ' ' CE1' ' A' ' 92' ' ' TYR . . . -51.75 112.25 1.8 Allowed Glycine 0 N--CA 1.485 1.955 0 O-C-N 120.781 -1.423 . . . . 0.0 109.86 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.56 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 18.7 m-20 -80.02 133.96 36.19 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.502 -0.999 . . . . 0.0 109.318 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.439 ' CE1' ' O ' ' A' ' 90' ' ' GLY . 97.0 m-85 -126.51 123.14 37.11 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -100.16 121.7 41.84 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.188 -0.945 . . . . 0.0 110.367 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -110.24 130.64 55.51 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.49 127.35 50.96 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -128.99 87.73 2.61 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 178.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 137.98 -165.71 25.32 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 108.771 -1.732 . . . . 0.0 108.771 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 46.28 14.76 0.11 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 97' ' ' GLY . 4.7 m -49.74 -52.08 34.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.048 -1.266 . . . . 0.0 109.683 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -57.59 -37.58 73.43 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.065 -1.022 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -69.18 -30.92 69.23 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.077 -1.014 . . . . 0.0 109.534 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -65.05 -42.76 93.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.028 -1.045 . . . . 0.0 108.563 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.24 95.36 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.356 -0.84 . . . . 0.0 109.534 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.65 -46.27 90.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.227 -0.921 . . . . 0.0 109.498 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -68.17 -42.72 79.61 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.277 -0.89 . . . . 0.0 108.979 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.429 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -61.02 -52.01 66.79 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.298 -0.876 . . . . 0.0 109.554 -179.757 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.438 ' C ' ' H ' ' A' ' 109' ' ' GLN . 16.8 tm0? -54.8 -39.57 68.59 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.355 -0.84 . . . . 0.0 110.029 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.1 10.14 1.02 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.153 -0.967 . . . . 0.0 109.687 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.438 ' H ' ' C ' ' A' ' 107' ' ' GLN . 9.0 mt-30 44.89 37.33 2.3 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.299 -0.875 . . . . 0.0 110.387 179.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -72.82 159.25 34.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.123 -0.985 . . . . 0.0 108.829 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -82.14 -42.74 18.67 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.453 -0.779 . . . . 0.0 110.204 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.1 p -133.2 177.5 7.62 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.046 -1.034 . . . . 0.0 110.48 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.6 tt -138.17 141.25 31.37 Favored Pre-proline 0 N--CA 1.502 2.158 0 O-C-N 121.656 -0.652 . . . . 0.0 110.076 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -68.24 132.58 26.25 Favored 'Trans proline' 0 N--CA 1.491 1.376 0 CA-C-N 119.935 1.012 . . . . 0.0 110.731 177.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.04 133.8 12.98 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.197 -0.939 . . . . 0.0 109.495 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.401 ' CB ' ' HZ1' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -77.41 111.55 13.22 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.394 -0.817 . . . . 0.0 109.025 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 57.7 mt -73.03 137.29 45.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.978 -1.076 . . . . 0.0 108.456 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 77.1 t -137.41 104.73 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.427 -0.795 . . . . 0.0 109.532 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.523 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.5 mp0 -46.1 134.06 8.62 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.218 -0.926 . . . . 0.0 109.604 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.5 m -140.01 -179.05 5.74 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.376 -0.828 . . . . 0.0 109.33 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.3 p -128.16 160.52 31.8 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.568 -0.708 . . . . 0.0 109.514 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.6 tp -55.47 -23.11 23.88 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.25 -0.906 . . . . 0.0 109.809 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 35.8 t -64.69 -48.77 73.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.918 -1.114 . . . . 0.0 109.509 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -55.08 -42.37 72.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.078 -1.014 . . . . 0.0 108.784 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.3 tp -62.18 -38.28 88.45 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 120.945 -1.097 . . . . 0.0 108.935 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -56.57 -37.34 70.44 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.183 -0.948 . . . . 0.0 109.057 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 86.4 t -58.39 -33.82 48.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.18 -0.95 . . . . 0.0 108.477 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -90.38 -48.73 6.94 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.245 -0.91 . . . . 0.0 110.994 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 131' ' ' ALA . 67.0 mt -116.08 43.32 2.17 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.466 -0.771 . . . . 0.0 110.485 -177.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.69 38.48 0.1 Allowed Glycine 0 N--CA 1.487 2.061 0 C-N-CA 119.971 -1.109 . . . . 0.0 110.433 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.41 -59.41 0.15 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.827 -1.396 . . . . 0.0 109.445 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 21.8 t -97.99 38.0 1.36 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.019 -1.05 . . . . 0.0 109.136 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -75.5 119.53 77.49 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.361 -0.837 . . . . 0.0 109.933 -179.247 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -80.97 -174.25 2.16 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.054 1.836 . . . . 0.0 111.428 178.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.468 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 45.0 t0 -107.06 130.31 54.68 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 121.74 0.781 . . . . 0.0 108.96 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.529 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 94.1 mt -90.11 136.45 33.04 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-O 121.455 0.645 . . . . 0.0 110.378 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 59.4 mm-40 . . . . . 0 N--CA 1.497 1.913 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.275 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.993 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -153.84 -174.31 4.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.269 -0.895 . . . . 0.0 109.766 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.412 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 86.2 t -75.35 142.14 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.454 -0.779 . . . . 0.0 109.016 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.412 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 10.5 m-70 -147.84 147.01 29.34 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.443 -0.786 . . . . 0.0 109.588 -179.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -85.21 95.39 9.15 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.407 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.1 p -89.39 124.48 64.35 Favored Pre-proline 0 N--CA 1.497 1.878 0 O-C-N 121.187 -0.946 . . . . 0.0 109.101 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -47.77 140.42 17.63 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 121.955 1.77 . . . . 0.0 113.7 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.5 -28.5 67.89 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.333 -0.854 . . . . 0.0 108.915 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.2 t -69.81 -15.2 63.07 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.575 -0.703 . . . . 0.0 112.496 -177.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.9 m -112.54 23.49 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.291 0 O-C-N 120.675 -1.266 . . . . 0.0 110.639 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.0 mt -92.47 123.22 35.62 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.819 -1.176 . . . . 0.0 109.008 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.5 mt -88.56 122.23 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.334 -0.854 . . . . 0.0 109.926 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -134.94 94.53 16.22 Favored Pre-proline 0 N--CA 1.496 1.868 0 O-C-N 121.589 -0.694 . . . . 0.0 109.547 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -98.54 31.33 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 123.142 2.561 . . . . 0.0 112.145 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 mp -141.18 137.69 17.04 Favored Pre-proline 0 N--CA 1.499 2.01 0 O-C-N 121.015 -1.053 . . . . 0.0 108.937 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -75.04 167.51 26.86 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.255 1.97 . . . . 0.0 111.869 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.7 m -154.57 160.43 41.49 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.11 -0.994 . . . . 0.0 109.781 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.447 ' CG1' ' O ' ' A' ' 56' ' ' VAL . 2.5 p -108.65 120.13 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.4 mt -103.79 146.34 28.77 Favored 'General case' 0 N--CA 1.498 1.925 0 CA-C-O 122.014 0.911 . . . . 0.0 110.728 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 3.6 t70 -112.31 139.97 23.14 Favored Pre-proline 0 N--CA 1.491 1.595 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.82 -22.55 17.5 Favored 'Trans proline' 0 N--CA 1.497 1.68 0 C-N-CA 121.998 1.799 . . . . 0.0 112.977 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.455 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -78.88 -39.55 34.75 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.12 -0.987 . . . . 0.0 110.399 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -76.51 -32.22 58.16 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.972 -1.08 . . . . 0.0 109.911 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.5 t -69.75 -37.91 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.92 -1.112 . . . . 0.0 109.348 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -67.08 -38.21 85.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.17 -0.956 . . . . 0.0 108.727 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.1 t -64.0 -37.39 87.24 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.297 -0.877 . . . . 0.0 109.279 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.58 -47.0 20.48 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.263 -0.898 . . . . 0.0 108.835 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.3 t -54.59 -31.82 24.14 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 O-C-N 121.203 -0.936 . . . . 0.0 108.565 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.54 -39.95 51.36 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.39 -0.819 . . . . 0.0 109.781 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.6 m -64.64 -50.94 65.14 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.055 -1.028 . . . . 0.0 109.099 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.621 ' CG2' HH12 ' A' ' 110' ' ' ARG . 21.7 mt -55.85 -41.82 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.237 -0.914 . . . . 0.0 108.886 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.474 ' NE ' ' CD2' ' A' ' 108' ' ' LEU . 73.6 mtt180 -77.8 -23.13 49.19 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.335 -0.853 . . . . 0.0 110.714 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -97.14 -31.74 12.31 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.804 -1.185 . . . . 0.0 110.09 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -164.87 89.56 1.01 Allowed Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.207 -0.933 . . . . 0.0 109.906 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.77 -14.48 45.08 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 121.782 1.654 . . . . 0.0 113.698 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -84.02 -24.73 30.38 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.679 -1.263 . . . . 0.0 110.377 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.5 p -83.15 22.0 1.03 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.957 -1.09 . . . . 0.0 109.972 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 t -122.26 96.5 46.21 Favored Pre-proline 0 N--CA 1.501 2.111 0 O-C-N 121.235 -0.916 . . . . 0.0 109.306 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.56 156.19 6.55 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.478 2.119 . . . . 0.0 112.526 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.5 171.69 17.76 Favored 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 122.629 2.22 . . . . 0.0 111.757 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.7 pt -105.88 166.01 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.561 -0.712 . . . . 0.0 109.447 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -89.46 130.37 35.82 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.264 -0.897 . . . . 0.0 108.764 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.0 t -137.31 140.19 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.291 -0.88 . . . . 0.0 109.632 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.1 mt -91.5 133.18 35.73 Favored 'General case' 0 N--CA 1.5 2.063 0 CA-C-O 121.651 0.739 . . . . 0.0 109.855 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.438 ' NE1' ' OD1' ' A' ' 91' ' ' ASP . 11.4 t90 -108.7 113.32 26.19 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.8 mt -131.89 145.99 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.283 -0.885 . . . . 0.0 109.682 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.543 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 38.3 mttp -109.66 156.59 20.05 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-O 121.86 0.838 . . . . 0.0 110.421 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.3 -174.4 38.9 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.52 -6.94 22.12 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.671 -0.9 . . . . 0.0 110.844 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -126.37 24.94 6.68 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.087 -1.008 . . . . 0.0 110.675 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.47 -14.01 37.59 Favored Glycine 0 N--CA 1.496 2.643 0 C-N-CA 120.072 -1.061 . . . . 0.0 111.123 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.521 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -49.11 108.47 0.43 Allowed Glycine 0 N--CA 1.487 2.07 0 O-C-N 120.827 -1.396 . . . . 0.0 109.63 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.543 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 6.8 m-20 -77.72 136.02 38.12 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.444 -1.033 . . . . 0.0 108.922 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.521 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 98.8 m-85 -129.8 129.09 43.61 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -104.65 119.34 38.76 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.291 -0.881 . . . . 0.0 110.122 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -104.14 131.12 51.76 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.15 120.87 39.02 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -123.3 86.03 2.51 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 137.16 -152.74 21.55 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.09 16.72 0.08 OUTLIER Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 97' ' ' GLY . 7.0 m -50.58 -49.73 55.57 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.168 -1.195 . . . . 0.0 110.027 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -67.51 -55.08 14.94 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.169 -0.957 . . . . 0.0 110.053 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 43.4 mtm180 -53.51 -30.72 42.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.899 -1.126 . . . . 0.0 109.283 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -66.18 -43.79 85.87 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.963 -1.085 . . . . 0.0 108.52 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.11 -45.99 91.13 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.312 -0.868 . . . . 0.0 109.619 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.79 -44.48 86.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.166 -0.959 . . . . 0.0 109.428 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -69.55 -43.17 73.5 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.196 -0.94 . . . . 0.0 108.945 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -60.22 -50.89 71.88 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.245 -0.91 . . . . 0.0 109.471 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.441 ' C ' ' H ' ' A' ' 109' ' ' GLN . 11.0 tm0? -54.07 -42.67 69.56 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.473 -0.767 . . . . 0.0 110.03 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.474 ' CD2' ' NE ' ' A' ' 70' ' ' ARG . 75.8 mt -73.53 11.08 0.87 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.072 -1.018 . . . . 0.0 109.67 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.441 ' H ' ' C ' ' A' ' 107' ' ' GLN . 48.7 mm-40 45.36 28.89 0.51 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.341 -0.849 . . . . 0.0 110.283 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.621 HH12 ' CG2' ' A' ' 69' ' ' ILE . 21.0 mmt85 -63.41 156.11 26.98 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.015 -1.053 . . . . 0.0 108.52 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -80.3 -41.58 24.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.348 -0.845 . . . . 0.0 110.643 -178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 33.9 p -133.17 177.05 7.97 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.997 -1.065 . . . . 0.0 110.763 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.7 tt -139.86 141.56 27.92 Favored Pre-proline 0 N--CA 1.504 2.226 0 O-C-N 121.694 -0.629 . . . . 0.0 109.785 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.47 130.1 21.58 Favored 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 120.941 1.094 . . . . 0.0 110.838 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.42 137.2 25.39 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.22 -0.925 . . . . 0.0 109.738 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -80.46 111.86 17.26 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 42.9 mt -79.07 132.81 36.73 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.851 -1.156 . . . . 0.0 109.128 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 58.1 t -132.88 115.84 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.546 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 4.0 mp0 -54.19 134.71 44.56 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.026 -1.046 . . . . 0.0 109.111 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.1 m -138.15 -179.71 5.94 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.284 -0.885 . . . . 0.0 109.096 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.8 p -128.21 160.75 31.13 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.586 -0.696 . . . . 0.0 109.374 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.0 tp -55.26 -35.64 65.22 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.119 -0.988 . . . . 0.0 109.72 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.2 t -54.85 -46.01 74.62 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.871 -1.143 . . . . 0.0 109.428 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -55.39 -46.88 76.54 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.065 -1.022 . . . . 0.0 108.476 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.4 tp -58.74 -38.32 78.12 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.052 -1.03 . . . . 0.0 108.934 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.8 ttm-85 -57.55 -35.63 70.59 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.185 -0.947 . . . . 0.0 109.33 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 82.3 t -59.2 -33.53 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.067 -1.021 . . . . 0.0 108.325 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -90.69 -48.35 7.11 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.361 -0.837 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 131' ' ' ALA . 42.6 mt -115.73 44.24 1.93 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.383 -0.823 . . . . 0.0 110.216 -178.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.64 38.38 0.1 OUTLIER Glycine 0 N--CA 1.488 2.153 0 C-N-CA 119.959 -1.115 . . . . 0.0 110.35 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.71 -54.9 0.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.81 -1.406 . . . . 0.0 109.4 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.6 t -99.29 37.56 1.54 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.187 -0.945 . . . . 0.0 109.184 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.89 117.79 68.76 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.38 -0.825 . . . . 0.0 110.172 -179.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -81.27 -174.09 2.07 Favored 'Trans proline' 0 N--CA 1.488 1.204 0 C-N-CA 122.03 1.82 . . . . 0.0 111.117 178.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.473 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 43.9 t0 -105.66 128.39 53.62 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.43 -0.794 . . . . 0.0 109.013 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.52 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.9 mt -89.21 137.36 32.39 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 121.475 0.655 . . . . 0.0 110.274 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 58.7 mm-40 . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 117.904 -1.046 . . . . 0.0 109.037 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.357 0.598 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -144.8 -174.36 4.32 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.263 -0.898 . . . . 0.0 109.459 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.497 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 87.4 t -74.87 143.39 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.387 -0.821 . . . . 0.0 109.084 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 12.9 m-70 -151.31 145.79 25.57 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.336 -0.853 . . . . 0.0 109.732 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -83.45 95.46 8.27 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.1 p -88.96 124.94 63.99 Favored Pre-proline 0 N--CA 1.496 1.867 0 O-C-N 121.139 -0.976 . . . . 0.0 108.856 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -47.92 142.48 15.06 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 C-N-CA 121.838 1.692 . . . . 0.0 113.75 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.2 mt -68.83 -32.53 72.29 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.245 -0.909 . . . . 0.0 109.097 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.4 p -66.0 -17.67 64.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.784 -0.573 . . . . 0.0 112.253 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.2 m -111.1 26.28 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.217 0 O-C-N 120.805 -1.184 . . . . 0.0 110.687 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.484 ' CD1' HH12 ' A' ' 51' ' ' ARG . 68.5 mt -95.27 127.81 41.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.959 -1.088 . . . . 0.0 108.806 178.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.0 mt -95.8 119.72 44.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.323 -0.861 . . . . 0.0 110.392 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.484 HH12 ' CD1' ' A' ' 49' ' ' LEU . 76.6 mtt85 -134.62 95.28 16.06 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.795 -0.565 . . . . 0.0 109.739 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -97.2 28.11 0.19 Allowed 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.965 2.443 . . . . 0.0 111.385 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tt -141.69 97.85 6.53 Favored Pre-proline 0 N--CA 1.495 1.782 0 O-C-N 121.402 -0.811 . . . . 0.0 109.35 -178.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.52 163.43 36.08 Favored 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 121.405 1.403 . . . . 0.0 111.641 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 m -151.38 167.49 27.77 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.111 -0.993 . . . . 0.0 110.001 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 56' ' ' VAL . 3.5 p -89.42 110.18 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.8 mt -87.34 146.63 25.83 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.998 -1.064 . . . . 0.0 110.653 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -95.6 132.64 27.05 Favored Pre-proline 0 C--N 1.296 -1.724 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.086 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -75.16 -19.98 16.99 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 121.97 1.78 . . . . 0.0 112.983 -178.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.541 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -84.16 -45.27 13.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.072 -1.017 . . . . 0.0 110.043 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -66.78 -31.87 72.78 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.203 -0.936 . . . . 0.0 109.81 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.15 -36.03 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.858 -1.151 . . . . 0.0 108.545 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -62.87 -45.19 93.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.373 -0.829 . . . . 0.0 109.13 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.2 t -56.36 -39.44 72.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.332 -0.855 . . . . 0.0 109.303 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.8 mt -72.93 -50.43 23.61 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.232 -0.917 . . . . 0.0 108.561 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.0 t -55.98 -32.28 32.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -76.18 -38.61 56.38 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.449 -0.782 . . . . 0.0 110.003 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.2 m -64.99 -51.75 59.95 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.046 -1.034 . . . . 0.0 109.427 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.618 ' CG2' HH12 ' A' ' 110' ' ' ARG . 13.8 mt -56.5 -41.37 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.293 -0.879 . . . . 0.0 108.771 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.406 ' NE ' ' CD2' ' A' ' 108' ' ' LEU . 70.0 mtt180 -77.4 -27.09 52.28 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.293 -0.879 . . . . 0.0 110.372 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -89.81 -37.09 14.73 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.745 -1.222 . . . . 0.0 109.532 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -161.39 99.83 1.24 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.237 -0.914 . . . . 0.0 109.327 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.85 -4.96 16.19 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.522 1.481 . . . . 0.0 113.166 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -89.01 -26.1 21.64 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.868 -1.145 . . . . 0.0 110.82 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.6 t -88.52 25.33 1.72 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.792 -1.193 . . . . 0.0 109.575 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.9 t -118.31 110.74 39.01 Favored Pre-proline 0 N--CA 1.499 2.003 0 O-C-N 121.333 -0.854 . . . . 0.0 108.742 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.71 162.17 30.13 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 121.671 1.581 . . . . 0.0 112.945 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -79.14 172.56 14.61 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 122.873 2.382 . . . . 0.0 112.198 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.3 pt -111.44 165.39 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 80' ' ' ASP . 1.1 p-10 -87.26 136.26 33.0 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.247 -0.908 . . . . 0.0 109.166 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.1 t -138.31 141.92 36.6 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.287 -0.883 . . . . 0.0 109.492 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.0 mt -90.27 131.75 35.91 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.388 -0.82 . . . . 0.0 109.868 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -107.59 112.78 25.68 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.3 mt -130.43 144.03 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.211 -0.931 . . . . 0.0 109.615 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.55 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 37.1 mttp -109.71 156.38 20.34 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 121.781 0.8 . . . . 0.0 110.257 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.1 -174.57 39.24 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.39 -7.29 23.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.737 -0.861 . . . . 0.0 110.835 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -125.87 24.67 7.01 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.08 -1.012 . . . . 0.0 110.699 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.12 -13.55 38.01 Favored Glycine 0 N--CA 1.496 2.65 0 O-C-N 121.011 -1.055 . . . . 0.0 111.16 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.53 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.85 109.09 0.49 Allowed Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.55 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 14.2 m-20 -77.67 135.33 38.07 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.449 -1.03 . . . . 0.0 109.175 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.53 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.0 m-85 -129.97 122.76 29.12 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -98.98 118.02 34.81 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.254 -0.903 . . . . 0.0 110.09 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -106.6 134.35 49.88 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.46 134.75 52.97 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.477 -0.764 . . . . 0.0 109.215 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -135.08 91.0 2.69 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 131.95 -167.04 22.96 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 108.523 -1.831 . . . . 0.0 108.523 -179.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 46.3 15.1 0.12 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 97' ' ' GLY . 7.1 m -49.44 -52.54 28.23 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.096 -1.237 . . . . 0.0 109.445 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -55.01 -30.63 59.92 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.219 -0.925 . . . . 0.0 109.054 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -29.04 66.38 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 109.561 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.32 -45.49 62.88 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.134 -0.979 . . . . 0.0 109.454 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.06 -41.31 83.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.14 -0.975 . . . . 0.0 109.822 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.07 -48.94 76.49 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.138 -0.976 . . . . 0.0 109.675 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -66.12 -41.56 90.38 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.214 -0.929 . . . . 0.0 108.835 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.428 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -62.1 -46.58 88.42 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.31 -0.868 . . . . 0.0 109.341 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -57.96 -40.85 81.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.295 -0.878 . . . . 0.0 109.971 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.406 ' CD2' ' NE ' ' A' ' 70' ' ' ARG . 98.6 mt -74.58 6.74 3.52 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.16 -0.962 . . . . 0.0 109.503 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 47.12 45.65 16.07 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.345 -0.847 . . . . 0.0 110.151 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.618 HH12 ' CG2' ' A' ' 69' ' ' ILE . 21.0 mmt85 -80.71 160.7 24.88 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.985 -1.072 . . . . 0.0 108.583 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.412 ' N ' ' OE1' ' A' ' 111' ' ' GLU . 21.7 mp0 -81.66 -41.51 21.29 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.313 -0.867 . . . . 0.0 110.407 -179.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 35.8 p -135.0 177.22 7.97 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.031 -1.043 . . . . 0.0 110.463 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.4 tt -139.41 141.16 27.9 Favored Pre-proline 0 N--CA 1.504 2.233 0 O-C-N 121.739 -0.601 . . . . 0.0 109.833 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.3 130.2 22.03 Favored 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 120.902 1.068 . . . . 0.0 110.792 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -149.46 133.85 17.47 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.192 -0.943 . . . . 0.0 109.292 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -79.5 117.59 20.59 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.301 -0.874 . . . . 0.0 109.001 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 49.4 mt -77.89 136.13 38.0 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.23 -0.919 . . . . 0.0 108.561 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.2 t -133.29 108.72 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.536 -0.727 . . . . 0.0 109.203 -179.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.576 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 14.8 mp0 -46.15 134.01 8.78 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.287 -0.883 . . . . 0.0 109.106 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.8 m -141.7 179.52 6.79 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.166 -0.959 . . . . 0.0 109.309 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.0 p -131.83 160.9 34.29 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.532 -0.73 . . . . 0.0 109.385 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.3 tp -54.54 -25.45 25.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.181 -0.949 . . . . 0.0 109.684 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 57.7 m -62.97 -48.22 79.8 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.95 -1.094 . . . . 0.0 109.535 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -55.17 -41.65 72.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.157 -0.964 . . . . 0.0 108.82 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.5 tp -61.82 -38.29 87.62 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.085 -1.01 . . . . 0.0 109.134 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.1 ttm105 -57.86 -37.07 73.26 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.07 -1.019 . . . . 0.0 109.175 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.6 t -57.65 -34.91 48.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.148 -0.97 . . . . 0.0 108.44 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -90.49 -48.32 7.17 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.337 -0.852 . . . . 0.0 110.922 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.551 ' O ' ' N ' ' A' ' 131' ' ' ALA . 75.6 mt -115.12 43.61 1.97 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.435 -0.79 . . . . 0.0 110.302 -178.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.85 38.95 0.1 Allowed Glycine 0 N--CA 1.489 2.214 0 C-N-CA 119.913 -1.137 . . . . 0.0 110.334 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.87 -59.53 0.14 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.781 -1.423 . . . . 0.0 109.564 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.9 t -97.64 37.48 1.38 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.04 -1.038 . . . . 0.0 109.232 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -75.71 117.93 67.2 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.292 -0.88 . . . . 0.0 110.044 -179.306 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -81.48 -174.38 2.16 Favored 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 122.018 1.812 . . . . 0.0 111.375 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.465 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 45.0 t0 -105.67 129.51 53.88 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.733 0.778 . . . . 0.0 109.003 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.529 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 93.8 mt -89.81 137.27 32.48 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.512 0.672 . . . . 0.0 110.399 -179.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 59.1 mm-40 . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 117.891 -1.052 . . . . 0.0 109.036 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.0 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.02 -174.13 4.77 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.283 -0.886 . . . . 0.0 109.777 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.458 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 84.2 t -74.96 144.36 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.458 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 10.1 m-70 -149.66 142.39 24.61 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.291 -0.88 . . . . 0.0 109.733 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -82.64 95.32 7.77 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.418 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.3 p -87.81 123.8 68.45 Favored Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 121.169 -0.957 . . . . 0.0 109.256 -179.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -47.46 140.07 16.44 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 121.856 1.704 . . . . 0.0 113.345 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.8 -30.47 70.68 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.443 -0.785 . . . . 0.0 109.321 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p -62.92 -27.35 69.31 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.813 -0.555 . . . . 0.0 112.107 -177.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.3 m -103.57 26.27 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.228 0 O-C-N 120.788 -1.195 . . . . 0.0 111.351 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.0 mt -90.3 138.32 31.63 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.707 -1.246 . . . . 0.0 108.838 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.4 mt -109.5 113.13 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.599 -0.688 . . . . 0.0 109.394 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.9 mtp-105 -134.62 96.63 14.9 Favored Pre-proline 0 N--CA 1.498 1.941 0 O-C-N 121.547 -0.721 . . . . 0.0 109.775 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -96.04 28.06 0.23 Allowed 'Trans proline' 0 C--N 1.314 -1.268 0 C-N-CA 122.911 2.407 . . . . 0.0 111.618 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.9 tt -141.34 93.68 7.87 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.303 -0.873 . . . . 0.0 109.426 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -75.22 164.12 33.56 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 121.66 1.574 . . . . 0.0 111.845 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 m -149.07 168.91 21.89 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.147 -0.971 . . . . 0.0 109.878 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.8 t -87.67 108.89 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.7 mt -88.38 146.77 25.08 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 122.056 0.931 . . . . 0.0 110.759 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.6 OUTLIER -95.38 130.36 32.42 Favored Pre-proline 0 C--N 1.298 -1.646 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.867 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -75.69 -19.1 16.75 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.792 1.661 . . . . 0.0 112.952 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.521 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -83.1 -42.39 17.45 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.052 -1.03 . . . . 0.0 110.091 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -31.76 68.55 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.133 -0.979 . . . . 0.0 109.622 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.4 t -70.97 -50.94 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.021 -1.049 . . . . 0.0 109.034 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.54 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -49.78 -42.27 46.29 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.1 t -60.5 -45.74 92.68 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.326 -0.858 . . . . 0.0 109.412 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.8 mt -63.79 -42.95 97.62 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.19 -0.944 . . . . 0.0 108.734 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.4 t -55.25 -33.29 30.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.534 ' CG ' HE22 ' A' ' 63' ' ' GLN . 0.7 OUTLIER -76.27 -33.91 59.12 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.38 -0.825 . . . . 0.0 109.401 179.504 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.9 m -67.27 -50.97 58.39 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.12 -0.987 . . . . 0.0 109.231 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.8 mt -58.02 -41.33 80.12 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.426 -0.796 . . . . 0.0 109.261 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -77.34 -32.23 55.01 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.244 -0.91 . . . . 0.0 110.319 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -86.4 -34.48 20.16 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.909 -1.119 . . . . 0.0 110.209 -178.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -154.66 85.88 3.62 Favored Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.141 -0.975 . . . . 0.0 109.766 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -62.11 -20.63 70.44 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.728 1.619 . . . . 0.0 113.191 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.411 ' C ' ' H ' ' A' ' 76' ' ' VAL . 8.4 m-20 -85.78 -26.8 25.58 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.774 -1.204 . . . . 0.0 110.528 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.2 m -77.81 16.91 0.62 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.871 -1.143 . . . . 0.0 109.636 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.411 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.3 t -119.52 113.42 34.98 Favored Pre-proline 0 N--CA 1.5 2.045 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -76.46 162.21 33.62 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 121.672 1.581 . . . . 0.0 113.097 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -77.65 172.13 16.29 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 122.878 2.385 . . . . 0.0 112.106 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.2 pt -110.0 167.67 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -91.4 135.27 33.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.169 -0.957 . . . . 0.0 109.036 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.9 t -138.06 138.32 43.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.371 -0.831 . . . . 0.0 109.401 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.3 mt -86.29 142.01 28.83 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.422 -0.799 . . . . 0.0 109.94 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.451 ' NE1' ' OD1' ' A' ' 91' ' ' ASP . 11.3 t90 -117.74 113.12 21.37 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.1 mt -131.81 145.11 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.309 -0.87 . . . . 0.0 110.031 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.546 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 38.5 mttp -108.42 156.76 19.08 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.564 0.697 . . . . 0.0 109.567 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.22 -167.18 30.18 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.03 -7.18 33.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.627 -0.925 . . . . 0.0 110.763 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.455 ' C ' ' H ' ' A' ' 90' ' ' GLY . 38.1 mt-30 -130.2 39.46 3.66 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.054 -1.029 . . . . 0.0 110.672 -179.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.57 -11.92 0.54 Allowed Glycine 0 N--CA 1.494 2.537 0 O-C-N 121.217 -0.927 . . . . 0.0 111.639 178.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -49.37 109.42 0.59 Allowed Glycine 0 N--CA 1.485 1.924 0 O-C-N 120.771 -1.429 . . . . 0.0 109.559 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.546 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 7.7 m-20 -78.57 134.36 37.23 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.38 -1.071 . . . . 0.0 108.703 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 95.1 m-85 -128.61 125.21 37.71 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -100.74 121.32 41.47 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.217 -0.927 . . . . 0.0 110.293 -178.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -108.99 136.58 48.28 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.6 130.36 51.51 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 179.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -130.86 89.89 2.82 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 136.59 -156.66 23.24 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 107.887 -2.085 . . . . 0.0 107.887 -179.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 46.34 14.39 0.1 OUTLIER Glycine 0 N--CA 1.493 2.477 0 O-C-N 121.005 -1.291 . . . . 0.0 110.074 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 97' ' ' GLY . 4.7 t -50.69 -43.31 57.58 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.142 -1.21 . . . . 0.0 110.055 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -76.03 -53.94 7.6 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.054 -1.029 . . . . 0.0 109.57 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -53.48 -29.79 37.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.918 -1.114 . . . . 0.0 108.801 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -67.2 -42.36 84.26 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.23 91.6 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.308 -0.87 . . . . 0.0 109.699 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.0 93.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.181 -0.949 . . . . 0.0 109.379 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -68.78 -42.41 77.45 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.227 -0.921 . . . . 0.0 108.933 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.441 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -61.74 -45.82 92.28 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.249 -0.907 . . . . 0.0 109.452 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.455 ' C ' ' H ' ' A' ' 109' ' ' GLN . 36.0 tt0 -60.99 -43.29 99.05 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.351 -0.843 . . . . 0.0 110.112 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.4 mt -70.28 6.19 1.43 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.05 -1.031 . . . . 0.0 109.718 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.455 ' H ' ' C ' ' A' ' 107' ' ' GLN . 5.9 tt0 45.09 37.38 2.5 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.378 -0.826 . . . . 0.0 110.286 179.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -70.17 161.37 30.35 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.006 -1.059 . . . . 0.0 108.54 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 111' ' ' GLU . 16.6 mp0 -80.07 -40.01 28.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.394 -0.816 . . . . 0.0 110.775 -178.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 35.7 p -134.38 177.4 7.79 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.066 -1.021 . . . . 0.0 110.656 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -138.61 141.35 30.68 Favored Pre-proline 0 N--CA 1.502 2.136 0 O-C-N 121.71 -0.619 . . . . 0.0 109.76 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -69.1 132.11 23.67 Favored 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 120.968 1.112 . . . . 0.0 110.708 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.29 132.83 12.96 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.194 -0.942 . . . . 0.0 109.662 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -77.64 121.87 24.55 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.388 -0.82 . . . . 0.0 109.186 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 40.3 mt -84.95 134.58 34.24 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.179 -0.951 . . . . 0.0 109.219 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.7 t -134.76 116.01 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.544 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 4.0 mp0 -53.43 139.32 31.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.128 -0.982 . . . . 0.0 109.093 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.6 m -142.5 -179.05 6.06 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.203 -0.936 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.5 p -129.43 160.77 32.09 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.53 -0.731 . . . . 0.0 109.378 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.9 tp -55.13 -34.53 63.81 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.056 -1.028 . . . . 0.0 109.665 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 68.0 m -55.73 -45.59 77.93 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.92 -1.112 . . . . 0.0 109.4 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.38 -46.44 76.52 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.035 -1.041 . . . . 0.0 108.445 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.11 -37.94 81.51 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.06 -1.025 . . . . 0.0 108.918 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 -57.77 -34.68 69.83 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.155 -0.966 . . . . 0.0 109.249 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.24 -34.3 56.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 O-C-N 121.14 -0.975 . . . . 0.0 108.417 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -90.54 -48.48 7.06 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.309 -0.869 . . . . 0.0 111.001 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 131' ' ' ALA . 74.9 mt -114.82 42.95 2.05 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.38 -0.825 . . . . 0.0 110.389 -177.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.66 39.41 0.1 Allowed Glycine 0 N--CA 1.488 2.147 0 C-N-CA 119.932 -1.128 . . . . 0.0 110.405 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.68 -58.41 0.14 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.78 -1.423 . . . . 0.0 109.549 179.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.4 t -99.22 35.85 1.84 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.105 -0.997 . . . . 0.0 109.293 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -73.46 119.45 75.93 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 0.0 109.866 -179.338 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.87 -174.29 2.21 Favored 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.934 1.756 . . . . 0.0 111.514 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.515 ' C ' HE21 ' A' ' 137' ' ' GLN . 43.7 t0 -106.79 119.67 39.95 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.53 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 94.1 mt -80.41 137.72 36.55 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.458 -0.776 . . . . 0.0 110.374 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 58.9 mm-40 . . . . . 0 N--CA 1.497 1.875 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.327 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -160.76 60.38 1.31 Allowed Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.232 -1.158 . . . . 0.0 109.52 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.69 33.95 0.41 Allowed 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.735 2.29 . . . . 0.0 111.993 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -170.1 163.34 9.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.208 -0.933 . . . . 0.0 109.447 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.31 178.56 34.51 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.38 -93.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.781 2.32 . . . . 0.0 112.013 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 170.36 179.19 41.67 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.43 133.97 16.57 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.836 2.357 . . . . 0.0 111.984 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.5 m -161.3 27.26 0.13 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.239 -0.913 . . . . 0.0 109.508 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.69 113.17 0.27 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.82 87.72 0.05 OUTLIER Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.56 -44.09 45.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.223 -1.163 . . . . 0.0 109.475 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -71.95 140.15 49.03 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.192 -0.942 . . . . 0.0 109.469 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.34 16.49 62.75 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.49 137.72 29.5 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 p -70.09 179.04 2.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.191 -1.181 . . . . 0.0 109.447 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.1 pt -79.14 55.27 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.251 -0.906 . . . . 0.0 109.499 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -169.5 -7.5 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.218 -0.926 . . . . 0.0 109.465 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.8 t -71.39 -94.65 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -0.915 . . . . 0.0 109.456 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -161.68 131.47 2.57 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.63 ' CZ ' ' H ' ' A' ' 38' ' ' ILE . 2.4 tpm_? -170.0 151.89 4.18 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.245 -1.15 . . . . 0.0 109.374 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.63 ' H ' ' CZ ' ' A' ' 37' ' ' ARG . 22.5 mt -139.57 98.53 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.313 -0.867 . . . . 0.0 108.945 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -110.39 117.55 33.92 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -151.66 -174.34 4.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.266 -0.896 . . . . 0.0 109.798 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.463 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 55.6 t -75.46 144.06 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 10.4 m-70 -149.03 143.88 26.37 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.092 -1.005 . . . . 0.0 109.968 -179.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -84.08 95.55 8.63 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.404 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.2 p -89.29 124.66 64.08 Favored Pre-proline 0 N--CA 1.497 1.891 0 O-C-N 121.196 -0.94 . . . . 0.0 109.268 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -47.4 139.71 16.6 Favored 'Trans proline' 0 N--CA 1.499 1.812 0 C-N-CA 121.964 1.776 . . . . 0.0 113.802 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.5 mt -67.09 -29.39 69.13 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.421 -0.8 . . . . 0.0 108.913 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t -68.05 -16.98 64.26 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.642 -0.661 . . . . 0.0 112.332 -177.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.6 m -112.19 24.95 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.272 0 O-C-N 120.695 -1.253 . . . . 0.0 110.96 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.9 mt -88.77 138.5 31.36 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.766 -1.209 . . . . 0.0 108.589 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.3 mt -108.48 115.48 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.534 -0.729 . . . . 0.0 109.859 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -132.49 95.75 20.03 Favored Pre-proline 0 N--CA 1.495 1.787 0 O-C-N 121.722 -0.611 . . . . 0.0 109.403 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -97.05 29.12 0.17 Allowed 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.944 2.429 . . . . 0.0 111.946 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tt -141.16 87.83 10.49 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.353 -0.842 . . . . 0.0 109.679 -178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -49.11 169.38 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 122.487 2.124 . . . . 0.0 112.164 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.7 m -158.21 165.35 35.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.166 -0.959 . . . . 0.0 109.88 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.9 t -96.17 110.24 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.5 mt -92.85 146.56 23.54 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 122.116 0.96 . . . . 0.0 110.924 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.1 t70 -103.11 133.42 20.35 Favored Pre-proline 0 C--N 1.299 -1.601 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 178.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.447 ' O ' ' OE1' ' A' ' 63' ' ' GLN . 94.9 Cg_endo -74.98 -19.64 17.69 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 121.937 1.758 . . . . 0.0 112.697 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.523 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.74 -35.45 20.78 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.991 -1.068 . . . . 0.0 109.155 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 27.9 tttt -73.28 -29.88 63.03 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.499 -0.751 . . . . 0.0 110.195 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.6 t -73.11 -34.92 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.627 ' N ' ' OE1' ' A' ' 63' ' ' GLN . 1.3 mp0 -62.74 -40.24 96.62 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.829 ' HG ' HN61 ' A' ' 1' ' ' ATP . 10.4 t -62.74 -40.81 98.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.284 -0.885 . . . . 0.0 109.363 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.6 mt -72.9 -45.36 58.63 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.227 -0.92 . . . . 0.0 108.866 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.0 t -55.78 -29.81 26.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.324 -0.86 . . . . 0.0 108.7 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -75.87 -36.67 59.47 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.468 -0.77 . . . . 0.0 110.022 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.5 m -65.31 -50.75 64.51 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.114 -0.991 . . . . 0.0 109.579 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.2 mt -60.17 -38.9 78.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.361 -0.837 . . . . 0.0 109.449 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -77.15 -29.79 54.76 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.255 -0.903 . . . . 0.0 110.471 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -91.82 -37.62 12.83 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.744 -1.222 . . . . 0.0 109.953 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -155.67 97.64 2.32 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.098 -1.001 . . . . 0.0 109.597 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.52 -3.31 13.71 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 121.617 1.545 . . . . 0.0 112.98 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -89.65 -28.84 19.22 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.936 -1.102 . . . . 0.0 110.809 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.4 m -83.6 23.38 0.96 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.767 -1.208 . . . . 0.0 109.59 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 t -120.68 103.4 43.63 Favored Pre-proline 0 N--CA 1.5 2.026 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.539 ' O ' ' NH1' ' A' ' 101' ' ' ARG . 38.2 Cg_endo -74.86 162.76 36.85 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.665 1.577 . . . . 0.0 112.695 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.43 170.43 19.95 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.768 2.312 . . . . 0.0 112.165 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.1 pt -108.08 163.94 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -84.56 132.66 34.49 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.099 -1.0 . . . . 0.0 108.77 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.9 t -136.4 137.92 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.2 mt -88.47 133.29 34.17 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.463 -0.773 . . . . 0.0 110.069 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -108.32 107.73 18.44 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 27.6 mt -126.56 145.63 33.77 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 121.398 -0.814 . . . . 0.0 109.785 -178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.55 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 37.3 mttp -108.7 156.6 19.39 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 121.548 0.689 . . . . 0.0 109.594 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.36 -168.12 37.13 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.49 -6.5 36.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.549 -0.971 . . . . 0.0 110.776 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.413 ' C ' ' H ' ' A' ' 90' ' ' GLY . 40.5 mt-30 -130.0 39.09 3.73 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.062 -1.024 . . . . 0.0 110.799 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.85 -12.91 0.97 Allowed Glycine 0 N--CA 1.493 2.476 0 O-C-N 121.102 -0.999 . . . . 0.0 111.658 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.526 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -50.35 108.39 0.5 Allowed Glycine 0 N--CA 1.487 2.037 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.55 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 12.6 m-20 -76.53 136.4 39.3 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.452 -1.028 . . . . 0.0 109.176 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.526 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 98.7 m-85 -131.82 130.65 42.03 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -104.28 120.53 41.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.318 -0.864 . . . . 0.0 110.185 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -107.14 137.62 44.87 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.49 132.98 49.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.696 -0.628 . . . . 0.0 109.397 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -134.49 90.67 2.69 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 135.27 -163.94 24.85 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 1.129 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 45.39 24.28 0.98 Allowed Glycine 0 N--CA 1.495 2.612 0 O-C-N 121.097 -1.237 . . . . 0.0 110.36 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.828 ' N ' ' PG ' ' A' ' 1' ' ' ATP . 3.4 m -53.43 -56.18 18.98 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.92 -1.341 . . . . 0.0 109.796 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.529 ' N ' ' O1G' ' A' ' 1' ' ' ATP . 47.4 m80 -61.71 -33.95 74.93 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.116 -0.99 . . . . 0.0 109.749 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.539 ' NH1' ' O ' ' A' ' 77' ' ' PRO . 1.6 tpp85 -63.92 -31.37 72.52 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.982 -1.074 . . . . 0.0 109.228 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -68.7 -42.65 77.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.244 -0.91 . . . . 0.0 109.064 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.6 -44.47 89.89 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.282 -0.886 . . . . 0.0 110.113 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.78 -45.81 92.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.022 -1.049 . . . . 0.0 109.518 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -68.48 -42.89 78.05 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.29 -0.881 . . . . 0.0 109.146 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -35.45 80.45 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.337 -0.852 . . . . 0.0 110.024 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.436 ' C ' ' H ' ' A' ' 109' ' ' GLN . 43.6 tt0 -70.31 -36.84 74.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.215 -0.928 . . . . 0.0 109.615 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 91.3 mt -74.04 11.06 0.98 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.276 -0.89 . . . . 0.0 109.813 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.436 ' H ' ' C ' ' A' ' 107' ' ' GLN . 9.7 mt-30 45.43 43.15 8.41 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.273 -0.892 . . . . 0.0 110.154 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 70.2 mmt-85 -81.59 160.9 23.71 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.16 -0.963 . . . . 0.0 109.084 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -84.29 -42.59 15.67 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.508 -0.745 . . . . 0.0 110.567 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.8 p -133.75 177.02 8.04 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.843 -1.161 . . . . 0.0 110.578 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.8 tt -139.05 140.64 27.32 Favored Pre-proline 0 N--CA 1.504 2.241 0 O-C-N 121.615 -0.678 . . . . 0.0 110.027 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -67.91 131.29 23.63 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 120.893 1.062 . . . . 0.0 110.519 177.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.12 129.38 11.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.098 -1.001 . . . . 0.0 109.897 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 29.0 tttp -72.68 123.94 24.3 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.514 -0.741 . . . . 0.0 109.17 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 53.2 mt -87.86 136.46 32.95 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.071 -1.018 . . . . 0.0 109.285 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 95.8 t -132.98 107.3 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.569 -0.707 . . . . 0.0 109.149 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.556 ' NE2' ' N ' ' A' ' 120' ' ' SER . 0.0 OUTLIER -50.3 132.45 24.35 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.249 -0.907 . . . . 0.0 108.896 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.556 ' N ' ' NE2' ' A' ' 119' ' ' GLN . 5.2 m -138.83 -178.79 5.48 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.312 -0.867 . . . . 0.0 109.432 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.1 p -127.45 160.46 31.39 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.571 -0.706 . . . . 0.0 109.438 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.8 tp -54.59 -27.61 40.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.096 -1.002 . . . . 0.0 109.601 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.4 t -59.82 -47.14 86.93 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.905 -1.122 . . . . 0.0 109.258 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -55.86 -37.2 68.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.023 -1.048 . . . . 0.0 108.563 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.3 tp -67.73 -32.21 72.68 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.964 -1.085 . . . . 0.0 109.476 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -64.01 -35.21 79.97 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.775 -1.203 . . . . 0.0 108.615 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 67.1 t -58.88 -35.96 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.1 -1.0 . . . . 0.0 108.688 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -90.02 -47.5 7.8 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.207 -0.933 . . . . 0.0 110.719 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.563 ' C ' ' H ' ' A' ' 131' ' ' ALA . 66.8 mt -117.97 45.77 1.9 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.473 -0.767 . . . . 0.0 110.278 -178.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.34 37.87 0.12 Allowed Glycine 0 N--CA 1.489 2.212 0 C-N-CA 119.799 -1.191 . . . . 0.0 110.247 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.563 ' H ' ' C ' ' A' ' 129' ' ' LEU . . . -154.86 -53.77 0.09 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.904 -1.35 . . . . 0.0 109.333 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.7 t -99.12 36.17 1.77 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.184 -0.947 . . . . 0.0 109.361 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.2 OUTLIER -78.31 121.73 84.21 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.283 -0.885 . . . . 0.0 109.378 -179.526 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -78.78 -173.98 2.09 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.055 1.837 . . . . 0.0 111.899 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.523 ' C ' HE21 ' A' ' 137' ' ' GLN . 38.2 t0 -109.89 95.54 5.67 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.51 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.3 mt -62.33 142.61 57.69 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.673 0.749 . . . . 0.0 110.858 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.523 HE21 ' C ' ' A' ' 135' ' ' ASP . 71.1 mm-40 . . . . . 0 N--CA 1.497 1.895 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.204 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ATP . . . . . 1.129 ' O3G' ' N ' ' A' ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.99 152.92 96.61 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.239 -1.154 . . . . 0.0 109.087 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -72.7 133.96 21.24 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.325 2.016 . . . . 0.0 111.913 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -140.89 134.34 29.9 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.333 -0.854 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.0 -169.19 41.71 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -46.14 175.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.791 2.328 . . . . 0.0 112.253 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -175.94 60.64 0.11 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.89 69.39 6.22 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.734 2.289 . . . . 0.0 111.99 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.7 p -79.65 123.4 27.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.251 -0.906 . . . . 0.0 109.466 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -176.15 -98.39 0.11 Allowed Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.87 -173.56 43.42 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.95 -16.95 62.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.278 -1.131 . . . . 0.0 109.44 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.438 ' C ' ' H ' ' A' ' 31' ' ' GLY . 21.7 mt-30 -153.2 2.23 0.28 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.24 -0.913 . . . . 0.0 109.367 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.46 ' C ' ' H ' ' A' ' 32' ' ' SER . . . 75.51 -15.12 4.82 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 29' ' ' GLN . . . -77.61 21.55 3.03 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.46 ' H ' ' C ' ' A' ' 30' ' ' GLY . 30.2 t -67.19 168.25 10.68 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.226 -1.161 . . . . 0.0 109.465 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.0 pt -71.54 176.12 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.307 -0.871 . . . . 0.0 109.488 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.515 ' ND1' ' O ' ' A' ' 34' ' ' HIS . 11.6 p80 -69.36 114.96 8.09 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.0 109.454 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.5 m -70.84 145.31 50.36 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.231 -0.918 . . . . 0.0 109.455 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 170.47 -116.69 0.66 Allowed Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.5 ttt-85 -170.06 148.18 3.35 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.318 -1.107 . . . . 0.0 109.455 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.8 mt -143.31 98.62 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.232 -0.917 . . . . 0.0 109.056 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -114.35 98.79 7.13 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.19 -174.38 4.43 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.279 -0.888 . . . . 0.0 109.635 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.514 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 91.2 t -75.12 144.01 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.449 -0.782 . . . . 0.0 109.108 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 14.2 m-70 -152.14 146.94 25.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.323 -0.861 . . . . 0.0 109.735 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -84.47 96.14 9.02 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.2 p -89.87 125.06 62.06 Favored Pre-proline 0 N--CA 1.498 1.954 0 O-C-N 121.15 -0.969 . . . . 0.0 109.102 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -47.24 141.2 13.76 Favored 'Trans proline' 0 N--CA 1.499 1.822 0 C-N-CA 121.909 1.739 . . . . 0.0 113.792 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.8 mt -67.88 -31.27 70.96 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.475 -0.766 . . . . 0.0 109.119 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.0 t -67.72 -16.73 64.28 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.583 -0.698 . . . . 0.0 112.519 -177.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.5 m -111.44 24.5 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.285 0 O-C-N 120.656 -1.278 . . . . 0.0 110.993 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.53 126.06 37.44 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.74 -1.225 . . . . 0.0 109.041 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.7 mt -94.98 118.62 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.391 -0.818 . . . . 0.0 110.122 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.3 mtp-105 -135.11 95.22 15.22 Favored Pre-proline 0 N--CA 1.496 1.867 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -95.84 25.96 0.28 Allowed 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 122.841 2.361 . . . . 0.0 112.589 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tt -130.95 101.85 16.42 Favored Pre-proline 0 N--CA 1.502 2.163 0 O-C-N 121.303 -0.873 . . . . 0.0 109.894 -178.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -48.02 169.52 0.07 OUTLIER 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.942 1.761 . . . . 0.0 112.053 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.8 m -159.96 162.68 34.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.107 -0.996 . . . . 0.0 109.945 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -107.35 110.56 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 75.2 mt -92.43 146.56 23.59 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.191 -0.943 . . . . 0.0 110.773 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -108.42 139.88 21.21 Favored Pre-proline 0 N--CA 1.49 1.552 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -75.96 -19.04 16.26 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 122.085 1.857 . . . . 0.0 113.015 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.66 -42.62 17.91 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.944 -1.097 . . . . 0.0 110.265 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.797 ' HD3' ' H2 ' ' A' ' 1' ' ' ATP . 0.4 OUTLIER -72.21 -31.84 66.22 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.05 -1.032 . . . . 0.0 109.939 -179.043 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 64.8 t -68.06 -35.57 72.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.824 -1.173 . . . . 0.0 109.03 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -66.31 -40.55 90.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.229 -0.919 . . . . 0.0 108.631 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 1.009 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 48.2 t -60.04 -39.63 86.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.29 -0.881 . . . . 0.0 109.235 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mt -74.67 -50.12 18.85 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.283 -0.886 . . . . 0.0 108.847 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.3 t -55.5 -30.88 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 O-C-N 121.194 -0.941 . . . . 0.0 108.675 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -76.52 -38.82 54.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.401 -0.812 . . . . 0.0 109.605 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 72' ' ' ASP . 5.6 m -64.58 -51.67 61.57 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.416 -0.803 . . . . 0.0 109.379 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.5 mt -57.76 -40.9 78.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 121.406 -0.808 . . . . 0.0 109.196 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -76.97 -31.31 56.46 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.231 -0.918 . . . . 0.0 110.434 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -89.24 -35.46 16.17 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.838 -1.164 . . . . 0.0 110.128 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.432 ' OD1' ' OD2' ' A' ' 74' ' ' ASP . 37.4 t0 -156.61 97.32 2.16 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.221 -0.924 . . . . 0.0 109.317 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.91 -6.65 18.9 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 121.471 1.447 . . . . 0.0 113.06 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 75' ' ' SER . 1.5 p30 -88.13 -40.0 14.11 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.934 -1.104 . . . . 0.0 110.177 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.523 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 24.0 m -71.85 22.53 0.05 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.979 -1.076 . . . . 0.0 109.923 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.52 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.6 t -118.62 106.68 43.86 Favored Pre-proline 0 N--CA 1.499 1.998 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -76.27 162.07 34.28 Favored 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 121.616 1.544 . . . . 0.0 112.889 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -76.89 172.71 15.7 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.83 2.353 . . . . 0.0 112.193 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.4 pt -111.54 165.27 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -88.42 135.87 33.26 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.277 -0.89 . . . . 0.0 108.712 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.4 t -138.5 137.36 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.372 -0.83 . . . . 0.0 109.308 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.3 mt -87.23 131.59 34.17 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.418 -0.801 . . . . 0.0 109.444 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.521 ' O ' ' NE2' ' A' ' 119' ' ' GLN . 11.5 t90 -111.69 110.04 20.22 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 27.3 mt -128.06 148.4 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 O-C-N 121.416 -0.803 . . . . 0.0 110.193 -178.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.523 ' HZ3' ' CG ' ' A' ' 91' ' ' ASP . 27.3 mttp -107.63 158.36 17.31 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 121.742 0.782 . . . . 0.0 110.102 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.42 -167.92 32.69 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.71 -6.59 38.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.641 -0.917 . . . . 0.0 110.786 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -129.89 33.81 4.36 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.998 -1.064 . . . . 0.0 110.81 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.431 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 73.98 -13.84 4.11 Favored Glycine 0 N--CA 1.496 2.658 0 O-C-N 121.069 -1.019 . . . . 0.0 111.265 178.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.07 107.84 0.29 Allowed Glycine 0 N--CA 1.487 2.084 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.523 ' CG ' ' HZ3' ' A' ' 85' ' ' LYS . 6.5 m-20 -75.84 133.07 40.71 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.521 -0.987 . . . . 0.0 109.444 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.6 m-85 -129.73 130.24 45.19 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -103.54 117.73 35.11 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.243 -0.911 . . . . 0.0 110.096 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -105.81 132.2 52.22 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.9 t -123.78 134.22 53.68 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.517 -0.739 . . . . 0.0 109.604 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -133.52 88.39 2.48 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 141.54 -165.02 26.54 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 44.88 22.89 0.5 Allowed Glycine 0 N--CA 1.495 2.605 0 O-C-N 121.169 -1.195 . . . . 0.0 110.49 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 97' ' ' GLY . 11.0 m -50.66 -49.85 56.1 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.865 -1.374 . . . . 0.0 109.653 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.721 ' ND1' ' O1G' ' A' ' 1' ' ' ATP . 38.2 m80 -66.93 -43.95 81.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.18 -0.95 . . . . 0.0 109.838 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -57.24 -28.06 62.59 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.971 -1.081 . . . . 0.0 109.261 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -71.26 -43.63 66.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.046 -1.034 . . . . 0.0 108.715 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.75 -39.89 90.4 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.271 -0.893 . . . . 0.0 109.736 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.46 -49.24 72.22 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.116 -0.99 . . . . 0.0 109.364 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -64.61 -43.7 92.92 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.203 -0.935 . . . . 0.0 108.538 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -61.97 -45.79 92.09 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.36 -0.837 . . . . 0.0 109.434 -179.802 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.468 ' C ' ' H ' ' A' ' 109' ' ' GLN . 33.7 tt0 -58.56 -40.27 82.6 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.413 -0.805 . . . . 0.0 110.071 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.4 mt -73.03 11.78 0.64 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.092 -1.005 . . . . 0.0 109.77 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.468 ' H ' ' C ' ' A' ' 107' ' ' GLN . 6.2 tt0 44.92 46.25 8.93 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.36 -0.838 . . . . 0.0 110.157 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 -85.85 160.65 19.38 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.065 -1.022 . . . . 0.0 108.852 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -82.89 -41.66 18.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.388 -0.82 . . . . 0.0 110.774 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 35.0 p -134.01 177.33 7.82 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.953 -1.092 . . . . 0.0 110.939 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.4 tt -139.65 140.95 26.48 Favored Pre-proline 0 N--CA 1.502 2.155 0 O-C-N 121.667 -0.646 . . . . 0.0 110.143 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -67.05 131.07 24.32 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 120.817 1.011 . . . . 0.0 110.66 177.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.24 134.15 13.94 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.151 -0.968 . . . . 0.0 109.495 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.72 119.61 21.48 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.307 -0.871 . . . . 0.0 108.991 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 51.9 mt -78.83 138.47 38.18 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.195 -0.941 . . . . 0.0 109.174 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 52.9 t -133.78 102.07 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.521 ' NE2' ' O ' ' A' ' 83' ' ' TRP . 15.9 tp60 -58.28 123.63 16.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.219 -0.925 . . . . 0.0 108.973 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.517 ' N ' HE21 ' A' ' 119' ' ' GLN . 6.5 m -130.65 -178.97 5.02 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.473 -0.767 . . . . 0.0 109.685 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.7 p -118.11 160.63 21.2 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-O 121.487 0.66 . . . . 0.0 109.418 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 32.0 tp -54.82 -34.35 62.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.143 -0.973 . . . . 0.0 109.853 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 72.2 m -54.49 -47.63 72.79 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.959 -1.088 . . . . 0.0 109.534 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -55.21 -43.21 74.26 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.09 -1.006 . . . . 0.0 109.034 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.7 -38.8 82.61 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.898 -1.126 . . . . 0.0 108.796 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -56.65 -35.75 68.74 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.251 -0.905 . . . . 0.0 109.288 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 99.8 t -59.42 -33.34 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.078 -1.014 . . . . 0.0 108.394 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -90.3 -48.87 6.87 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.364 -0.835 . . . . 0.0 110.771 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 131' ' ' ALA . 69.5 mt -116.78 45.1 1.9 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.517 -0.74 . . . . 0.0 110.193 -178.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.52 38.24 0.1 OUTLIER Glycine 0 N--CA 1.49 2.239 0 N-CA-C 110.359 -1.096 . . . . 0.0 110.359 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -155.37 -53.76 0.09 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.818 -1.401 . . . . 0.0 109.388 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.0 t -100.28 36.81 1.79 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.208 -0.933 . . . . 0.0 109.229 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -77.82 118.84 74.68 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.273 -0.892 . . . . 0.0 109.759 -179.252 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -80.19 -174.84 2.42 Favored 'Trans proline' 0 N--CA 1.491 1.345 0 C-N-CA 121.84 1.693 . . . . 0.0 111.279 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.469 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 47.0 t0 -105.55 127.75 53.21 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.741 0.781 . . . . 0.0 109.016 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.533 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 97.5 mt -92.41 139.88 30.14 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.469 0.652 . . . . 0.0 110.17 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.533 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 61.9 mm-40 . . . . . 0 N--CA 1.497 1.914 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.371 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ATP . . . . . 1.009 ' N6 ' ' OG ' ' A' ' 64' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -162.51 152.86 14.05 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.269 -1.136 . . . . 0.0 109.104 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -72.73 175.23 10.57 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.329 2.019 . . . . 0.0 111.981 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -166.49 -103.74 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.254 -0.904 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.93 70.78 0.27 Allowed Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -82.23 168.7 14.85 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.787 2.325 . . . . 0.0 112.112 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.06 -170.29 36.85 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -46.08 120.53 3.68 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.852 2.368 . . . . 0.0 112.278 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.6 m -78.5 -20.08 51.58 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.212 -0.93 . . . . 0.0 109.443 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.86 100.45 1.12 Allowed Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.03 92.29 1.14 Allowed Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.63 -55.68 5.0 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.238 -1.154 . . . . 0.0 109.487 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -73.34 161.96 29.88 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.202 -0.936 . . . . 0.0 109.432 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -179.32 -160.07 24.46 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 52.76 -147.91 13.84 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.8 p -74.53 150.67 39.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.254 -1.144 . . . . 0.0 109.444 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.0 mt -68.5 -51.92 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.205 -0.935 . . . . 0.0 109.429 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -75.44 148.02 39.44 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.204 -0.935 . . . . 0.0 109.486 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 55.9 p -160.87 125.51 3.62 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.234 -0.916 . . . . 0.0 109.51 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.41 163.88 35.29 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -70.02 139.02 52.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.289 -1.124 . . . . 0.0 109.471 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.7 mt -143.67 97.6 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.171 -0.956 . . . . 0.0 108.995 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.84 88.37 6.18 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.519 -0.738 . . . . 0.0 109.532 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.04 -174.43 4.43 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.301 -0.874 . . . . 0.0 109.562 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.508 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 89.7 t -74.97 143.89 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.451 -0.781 . . . . 0.0 109.001 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 13.3 m-70 -152.01 145.05 24.53 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.275 -0.891 . . . . 0.0 109.837 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -84.66 94.09 8.56 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.407 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.0 p -86.77 125.21 67.66 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 121.154 -0.966 . . . . 0.0 109.298 -179.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -48.07 140.27 19.43 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 121.684 1.589 . . . . 0.0 113.314 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.25 -31.47 72.31 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.784 0.802 . . . . 0.0 109.502 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.4 p -63.88 -27.66 69.31 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.803 -0.56 . . . . 0.0 112.48 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.9 m -101.46 26.24 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.269 0 O-C-N 120.751 -1.218 . . . . 0.0 111.475 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.3 mt -90.84 139.29 30.88 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.652 -1.28 . . . . 0.0 108.758 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.2 mt -106.95 116.74 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.56 -0.712 . . . . 0.0 109.902 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -133.33 95.24 18.48 Favored Pre-proline 0 N--CA 1.495 1.814 0 O-C-N 121.687 -0.633 . . . . 0.0 109.858 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -98.2 28.95 0.15 Allowed 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.987 2.458 . . . . 0.0 111.542 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.7 tt -141.9 88.23 9.52 Favored Pre-proline 0 N--CA 1.495 1.789 0 O-C-N 121.27 -0.894 . . . . 0.0 109.894 -178.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -48.01 169.19 0.08 OUTLIER 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.298 1.999 . . . . 0.0 111.917 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.6 m -158.19 164.67 36.32 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.071 -1.018 . . . . 0.0 110.081 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.452 ' CG1' ' O ' ' A' ' 56' ' ' VAL . 2.7 p -96.86 118.17 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 179.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.2 mt -100.52 146.58 26.92 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 122.04 0.924 . . . . 0.0 110.857 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.1 t70 -101.92 131.88 22.26 Favored Pre-proline 0 C--N 1.3 -1.573 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 178.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -74.75 -19.51 18.42 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 121.858 1.706 . . . . 0.0 112.576 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.525 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.39 -34.88 21.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.027 -1.046 . . . . 0.0 109.225 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.421 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 8.4 ttpt -74.12 -31.39 62.75 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.327 -0.858 . . . . 0.0 109.761 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.1 t -72.4 -35.89 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 120.988 -1.07 . . . . 0.0 109.063 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -64.48 -40.74 96.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.218 -0.926 . . . . 0.0 108.877 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.856 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 6.9 t -62.28 -37.68 86.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.236 -0.915 . . . . 0.0 109.364 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.6 mt -75.79 -44.76 39.76 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.287 -0.883 . . . . 0.0 109.046 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 37.5 t -55.49 -33.08 31.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -76.44 -37.56 56.79 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.383 -0.823 . . . . 0.0 110.111 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.6 m -65.21 -51.54 60.3 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.06 -1.025 . . . . 0.0 109.519 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.9 mt -56.18 -41.62 70.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.215 -0.928 . . . . 0.0 108.672 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.505 ' NE ' ' CD2' ' A' ' 108' ' ' LEU . 68.3 mtt180 -77.43 -27.29 52.2 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.345 -0.847 . . . . 0.0 110.475 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -90.09 -36.24 14.99 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.763 -1.21 . . . . 0.0 109.645 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -157.55 101.25 1.85 Allowed Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.231 -0.918 . . . . 0.0 109.282 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.48 -17.05 34.55 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 121.354 1.369 . . . . 0.0 113.07 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.492 ' C ' ' H ' ' A' ' 76' ' ' VAL . 43.1 m-20 -84.25 -28.24 27.35 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.855 -1.153 . . . . 0.0 110.286 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.6 m -74.65 17.39 0.21 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.898 -1.126 . . . . 0.0 109.412 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.492 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.2 t -131.2 104.39 15.06 Favored Pre-proline 0 N--CA 1.498 1.934 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -74.14 162.35 38.96 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 121.655 1.57 . . . . 0.0 112.931 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.21 169.45 20.66 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.79 2.327 . . . . 0.0 111.955 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.3 pt -106.7 165.08 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.61 -0.681 . . . . 0.0 109.754 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 80' ' ' ASP . 1.3 p-10 -88.27 132.93 34.19 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.7 t -136.47 135.21 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.28 -0.888 . . . . 0.0 109.668 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.9 mt -85.17 135.58 33.9 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.642 0.734 . . . . 0.0 109.153 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 8.4 t90 -115.7 115.97 27.27 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.4 mt -133.09 143.98 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 121.023 -1.048 . . . . 0.0 110.343 -178.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.574 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 0.6 OUTLIER -103.22 156.9 17.38 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.532 0.682 . . . . 0.0 109.606 -179.089 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.26 -167.81 31.54 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.866 -1.293 . . . . 0.0 109.866 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.63 -6.08 38.31 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.585 -0.95 . . . . 0.0 110.729 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.406 ' C ' ' H ' ' A' ' 90' ' ' GLY . 43.6 mt-30 -130.48 38.91 3.69 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.998 -1.064 . . . . 0.0 110.896 -179.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.63 -13.13 1.27 Allowed Glycine 0 N--CA 1.493 2.447 0 O-C-N 121.173 -0.954 . . . . 0.0 111.746 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.518 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -51.62 109.14 0.74 Allowed Glycine 0 N--CA 1.486 2.009 0 O-C-N 120.764 -1.433 . . . . 0.0 109.632 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.574 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 5.3 m-20 -78.07 134.45 37.74 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.421 -1.046 . . . . 0.0 108.968 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.518 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.1 m-85 -128.44 126.01 39.69 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -100.77 121.35 41.52 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.211 -0.931 . . . . 0.0 109.992 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -108.81 132.55 53.88 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.718 -0.614 . . . . 0.0 109.694 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.3 130.26 52.49 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.586 -0.696 . . . . 0.0 109.307 178.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -131.08 90.01 2.82 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.13 -1.434 . . . . 0.0 107.13 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 135.97 -162.54 25.01 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 108.449 -1.86 . . . . 0.0 108.449 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.606 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 45.35 16.41 0.1 OUTLIER Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.684 ' HB2' ' O1G' ' A' ' 1' ' ' ATP . 6.8 m -49.69 -48.98 49.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.164 -1.198 . . . . 0.0 109.977 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.681 ' H ' ' PG ' ' A' ' 1' ' ' ATP . 39.2 m80 -67.04 -43.72 82.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.032 -1.042 . . . . 0.0 109.644 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.9 mtm180 -60.05 -29.31 68.45 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.924 -1.11 . . . . 0.0 109.056 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -68.92 -42.09 77.25 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.98 90.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.296 -0.878 . . . . 0.0 109.528 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.3 93.6 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.168 -0.957 . . . . 0.0 109.449 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -67.5 -44.26 78.89 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.242 -0.912 . . . . 0.0 108.759 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -60.09 -50.95 71.67 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.347 -0.846 . . . . 0.0 109.509 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.515 ' C ' ' H ' ' A' ' 109' ' ' GLN . 15.1 tm0? -56.6 -42.89 79.53 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.371 -0.831 . . . . 0.0 110.143 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.505 ' CD2' ' NE ' ' A' ' 70' ' ' ARG . 86.9 mt -67.61 7.77 0.44 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.102 -0.999 . . . . 0.0 109.621 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.515 ' H ' ' C ' ' A' ' 107' ' ' GLN . 6.1 tt0 45.45 42.51 7.79 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.332 -0.855 . . . . 0.0 110.109 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 27.0 mmt-85 -80.66 159.96 25.17 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.051 -1.031 . . . . 0.0 108.779 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -81.17 -41.49 22.3 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.447 -0.783 . . . . 0.0 110.624 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 35.4 p -133.44 177.86 7.36 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 120.973 -1.079 . . . . 0.0 110.975 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.6 tt -138.93 141.1 29.12 Favored Pre-proline 0 N--CA 1.502 2.15 0 O-C-N 121.709 -0.619 . . . . 0.0 109.921 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.12 131.69 25.9 Favored 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 120.926 1.084 . . . . 0.0 110.89 177.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.92 134.56 13.62 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.113 -0.992 . . . . 0.0 109.728 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.2 115.41 18.85 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.402 -0.811 . . . . 0.0 109.283 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 52.8 mt -79.66 134.35 36.42 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.018 -1.051 . . . . 0.0 109.53 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 44.0 t -138.15 101.64 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.664 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 0.1 OUTLIER -53.07 133.63 38.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.151 -0.968 . . . . 0.0 109.603 -179.4 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -134.64 -177.77 4.76 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.0 p -116.45 159.0 22.66 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-O 121.718 0.77 . . . . 0.0 109.826 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 30.2 tp -55.28 -28.91 56.66 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.242 -0.911 . . . . 0.0 109.69 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 73.6 m -58.39 -48.05 81.89 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.959 -1.088 . . . . 0.0 109.319 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.16 -38.43 68.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.142 -0.974 . . . . 0.0 108.587 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.06 -31.83 72.94 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.9 -1.125 . . . . 0.0 109.095 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -62.32 -35.58 79.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.922 -1.111 . . . . 0.0 108.965 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.78 -34.86 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 O-C-N 121.191 -0.943 . . . . 0.0 108.599 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -90.16 -47.84 7.55 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.274 -0.891 . . . . 0.0 110.949 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.562 ' C ' ' H ' ' A' ' 131' ' ' ALA . 65.9 mt -117.29 43.99 2.21 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.505 -0.747 . . . . 0.0 110.481 -177.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.91 37.9 0.1 Allowed Glycine 0 N--CA 1.488 2.109 0 C-N-CA 119.896 -1.145 . . . . 0.0 110.346 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.562 ' H ' ' C ' ' A' ' 129' ' ' LEU . . . -153.62 -54.83 0.11 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.882 -1.364 . . . . 0.0 109.306 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.4 p -99.86 35.26 2.07 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.254 -0.904 . . . . 0.0 109.223 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.2 OUTLIER -74.62 121.39 85.14 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.316 -0.865 . . . . 0.0 109.455 -179.553 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -79.59 -173.95 2.07 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.093 1.862 . . . . 0.0 111.786 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.524 ' C ' HE21 ' A' ' 137' ' ' GLN . 41.6 t0 -110.29 95.75 5.78 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.504 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.9 mt -61.7 141.43 57.85 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 121.704 0.764 . . . . 0.0 110.799 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.524 HE21 ' C ' ' A' ' 135' ' ' ASP . 71.2 mm-40 . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.136 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ATP . . . . . 0.856 ' N6 ' ' OG ' ' A' ' 64' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.469 -1.453 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.32 153.12 70.13 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.266 -1.138 . . . . 0.0 109.108 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -36.83 127.09 0.47 Allowed 'Trans proline' 0 C--N 1.314 -1.26 0 C-N-CA 122.418 2.079 . . . . 0.0 112.425 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -166.66 167.09 15.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.217 -0.927 . . . . 0.0 109.472 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -174.54 -68.52 0.05 OUTLIER Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.2 173.62 14.2 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.794 2.33 . . . . 0.0 111.997 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 175.56 60.29 0.06 OUTLIER Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.514 ' C ' ' H ' ' A' ' 26' ' ' GLY . 72.2 Cg_endo -75.54 134.92 17.49 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.752 2.301 . . . . 0.0 111.955 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.1 m -72.64 37.37 0.08 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.253 -0.905 . . . . 0.0 109.47 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.514 ' H ' ' C ' ' A' ' 24' ' ' PRO . . . -65.4 94.96 0.2 Allowed Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.54 -82.28 0.08 OUTLIER Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.06 -54.56 5.88 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.275 -1.132 . . . . 0.0 109.467 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -143.2 -105.14 0.13 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.314 -0.866 . . . . 0.0 109.221 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 160.77 -136.76 4.62 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.402 ' C ' ' HG ' ' A' ' 32' ' ' SER . . . 79.16 -155.36 40.21 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.402 ' HG ' ' C ' ' A' ' 31' ' ' GLY . 68.1 m -160.73 135.71 7.66 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.206 -1.173 . . . . 0.0 109.445 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.461 ' CD1' ' H ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -86.56 87.79 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.215 -0.928 . . . . 0.0 108.976 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -170.02 78.55 0.1 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.255 -0.903 . . . . 0.0 109.481 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -170.01 -22.4 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.218 -0.926 . . . . 0.0 109.511 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.01 -59.77 2.22 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 38' ' ' ILE . 51.0 ttp180 -49.65 162.11 0.18 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.228 -1.16 . . . . 0.0 109.451 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.405 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 20.8 mt -143.07 97.72 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.262 -0.898 . . . . 0.0 109.097 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.13 109.06 20.9 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.607 -0.683 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -151.94 -174.92 5.02 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.254 -0.904 . . . . 0.0 109.793 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.52 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 89.1 t -75.66 144.6 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.495 -0.753 . . . . 0.0 109.083 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.52 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 15.0 m-70 -152.5 143.02 22.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.343 -0.848 . . . . 0.0 109.583 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -80.21 93.72 5.92 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.412 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.5 p -86.18 123.82 71.12 Favored Pre-proline 0 N--CA 1.496 1.83 0 O-C-N 121.219 -0.926 . . . . 0.0 109.283 -179.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -47.18 141.72 12.78 Favored 'Trans proline' 0 N--CA 1.498 1.784 0 C-N-CA 121.859 1.706 . . . . 0.0 113.624 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 mt -68.54 -29.34 67.89 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.495 -0.753 . . . . 0.0 109.24 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 t -72.18 -12.81 61.35 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.475 -0.765 . . . . 0.0 112.707 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.0 m -112.79 25.59 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.282 0 O-C-N 120.625 -1.297 . . . . 0.0 110.752 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.2 mt -95.63 133.31 39.83 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.831 -1.168 . . . . 0.0 109.085 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 97.0 mt -99.0 116.62 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.388 -0.82 . . . . 0.0 109.503 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.468 HH22 ' HG ' ' A' ' 95' ' ' SER . 81.4 mtt-85 -132.57 96.13 19.23 Favored Pre-proline 0 N--CA 1.498 1.93 0 O-C-N 121.583 -0.698 . . . . 0.0 109.536 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -96.93 26.82 0.22 Allowed 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 123.137 2.558 . . . . 0.0 112.347 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.4 mp -138.95 114.02 8.43 Favored Pre-proline 0 N--CA 1.499 1.975 0 O-C-N 121.285 -0.884 . . . . 0.0 108.979 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.93 165.11 28.94 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 121.795 1.663 . . . . 0.0 111.712 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.6 m -149.23 165.5 31.71 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.061 -1.024 . . . . 0.0 109.904 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -95.9 109.82 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.0 mt -89.26 146.59 24.63 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 122.227 1.013 . . . . 0.0 110.965 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.6 t70 -104.86 133.93 19.9 Favored Pre-proline 0 C--N 1.3 -1.587 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.55 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 68.7 Cg_endo -73.64 -23.63 16.75 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.775 1.65 . . . . 0.0 112.713 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.488 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -81.63 -34.27 30.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.855 -1.153 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -75.63 -30.49 59.52 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.464 -0.772 . . . . 0.0 110.049 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.8 t -73.14 -51.45 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 120.818 -1.176 . . . . 0.0 108.33 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -50.28 -40.28 47.82 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.44 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.626 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 37.6 t -61.54 -41.01 96.71 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.256 -0.903 . . . . 0.0 109.445 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.2 mt -74.17 -46.16 43.99 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.303 -0.873 . . . . 0.0 108.892 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.0 t -55.72 -34.13 35.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.207 -0.933 . . . . 0.0 108.601 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -76.25 -33.71 59.17 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.421 -0.799 . . . . 0.0 109.532 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 72' ' ' ASP . 6.8 m -67.33 -51.42 52.65 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.192 -0.943 . . . . 0.0 109.43 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.2 mt -58.56 -40.79 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.38 -0.825 . . . . 0.0 109.267 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -76.93 -32.84 57.64 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.203 -0.935 . . . . 0.0 110.298 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -88.96 -33.94 17.05 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.835 -1.165 . . . . 0.0 110.323 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.429 ' OD2' ' OD2' ' A' ' 74' ' ' ASP . 22.5 t70 -158.4 97.39 1.8 Allowed Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.158 -0.964 . . . . 0.0 109.509 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.04 -1.57 11.58 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 121.693 1.595 . . . . 0.0 112.951 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.519 ' C ' ' H ' ' A' ' 76' ' ' VAL . 1.5 p-10 -88.94 -41.71 12.24 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.944 -1.098 . . . . 0.0 110.054 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.5 t -71.96 24.45 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.067 -1.021 . . . . 0.0 109.86 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.519 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.4 t -126.97 102.82 24.2 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 121.254 -0.904 . . . . 0.0 108.692 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -77.5 162.2 30.73 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.767 1.644 . . . . 0.0 112.934 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.72 170.97 19.08 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 122.782 2.322 . . . . 0.0 112.144 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.3 pt -107.18 167.4 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.663 -0.648 . . . . 0.0 109.47 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 81' ' ' VAL . 13.6 t0 -91.63 137.84 32.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.204 -0.935 . . . . 0.0 108.553 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.44 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 16.1 t -138.69 137.86 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.531 -0.73 . . . . 0.0 109.219 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.2 mt -86.83 127.35 35.02 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.467 -0.771 . . . . 0.0 109.884 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -106.32 111.41 23.98 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.2 mt -126.47 145.01 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.38 -0.825 . . . . 0.0 110.087 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.568 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 2.2 tttp -104.01 156.21 18.04 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.486 0.66 . . . . 0.0 110.292 -178.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.18 -174.68 37.58 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.45 -6.25 18.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.681 -0.893 . . . . 0.0 110.893 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -130.25 37.93 3.83 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.057 -1.027 . . . . 0.0 110.772 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.458 ' O ' ' NZ ' ' A' ' 85' ' ' LYS . . . 71.21 -13.23 2.04 Favored Glycine 0 N--CA 1.492 2.404 0 O-C-N 121.079 -1.013 . . . . 0.0 111.58 178.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.421 ' O ' ' CE1' ' A' ' 92' ' ' TYR . . . -50.94 111.1 1.14 Allowed Glycine 0 N--CA 1.486 1.999 0 O-C-N 120.785 -1.421 . . . . 0.0 109.598 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.568 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 14.2 m-20 -79.76 133.0 36.3 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.539 -0.977 . . . . 0.0 109.963 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.421 ' CE1' ' O ' ' A' ' 90' ' ' GLY . 94.8 m-85 -126.05 149.29 48.97 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -122.66 119.14 29.86 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.283 -0.886 . . . . 0.0 110.263 -178.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -108.41 131.92 54.29 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.468 ' HG ' HH22 ' A' ' 51' ' ' ARG . 3.0 t -125.82 134.74 51.57 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -133.82 88.4 2.47 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 141.96 -161.64 27.14 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.05 24.99 0.9 Allowed Glycine 0 N--CA 1.494 2.551 0 O-C-N 121.247 -1.149 . . . . 0.0 110.357 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.555 ' SG ' ' O3G' ' A' ' 1' ' ' ATP . 4.9 m -52.2 -51.23 59.4 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.904 -1.351 . . . . 0.0 109.73 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.669 ' ND1' ' O1G' ' A' ' 1' ' ' ATP . 48.7 m80 -67.83 -49.26 63.2 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.261 -0.9 . . . . 0.0 109.727 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -53.74 -29.81 41.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.028 -1.045 . . . . 0.0 109.208 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -70.75 -42.83 69.94 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.129 -0.982 . . . . 0.0 108.795 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.34 -48.31 82.13 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.265 -0.897 . . . . 0.0 109.88 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.11 -44.47 74.99 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.042 -1.036 . . . . 0.0 109.322 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -69.36 -41.4 76.62 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.306 -0.872 . . . . 0.0 108.992 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -64.42 -34.73 78.85 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.215 -0.928 . . . . 0.0 110.038 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.532 ' C ' ' H ' ' A' ' 109' ' ' GLN . 55.3 tt0 -73.0 -41.93 63.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.2 -0.938 . . . . 0.0 109.836 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.83 9.31 0.19 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.304 -0.873 . . . . 0.0 109.896 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.532 ' H ' ' C ' ' A' ' 107' ' ' GLN . 19.0 tp60 46.57 43.17 12.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.225 -0.922 . . . . 0.0 109.898 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -82.52 159.17 22.89 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.169 -0.957 . . . . 0.0 108.977 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.417 ' N ' ' CD ' ' A' ' 111' ' ' GLU . 16.4 mp0 -82.51 -40.65 20.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.406 -0.809 . . . . 0.0 110.839 -179.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 36.4 p -133.86 177.88 7.38 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.981 -1.074 . . . . 0.0 110.757 -178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.21 141.11 28.37 Favored Pre-proline 0 N--CA 1.503 2.199 0 O-C-N 121.688 -0.633 . . . . 0.0 110.013 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.38 130.27 23.44 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 120.919 1.079 . . . . 0.0 110.917 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.52 133.32 14.01 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.137 -0.977 . . . . 0.0 109.626 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -78.98 111.74 15.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.361 -0.837 . . . . 0.0 108.854 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 65.9 mt -71.82 138.56 48.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.931 -1.106 . . . . 0.0 109.16 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.0 t -133.88 101.94 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' A' ' 120' ' ' SER . 1.6 tm0? -55.43 126.58 25.74 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.205 -0.935 . . . . 0.0 109.068 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.53 ' O ' ' NE2' ' A' ' 119' ' ' GLN . 6.0 m -134.28 -179.41 5.55 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.398 -0.814 . . . . 0.0 109.646 -179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.7 p -119.07 160.26 22.38 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 121.568 0.699 . . . . 0.0 109.498 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.2 tp -55.5 -26.09 40.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.175 -0.953 . . . . 0.0 109.941 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.8 t -61.27 -49.47 76.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.888 -1.132 . . . . 0.0 109.683 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -55.05 -41.07 70.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.088 -1.007 . . . . 0.0 109.018 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.9 tp -59.55 -39.55 84.4 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 120.907 -1.121 . . . . 0.0 108.928 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.3 ttm105 -56.31 -36.93 69.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.167 -0.958 . . . . 0.0 109.249 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 97.4 t -58.63 -33.13 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 121.175 -0.953 . . . . 0.0 108.506 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -90.6 -48.65 6.95 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.262 -0.899 . . . . 0.0 110.828 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' A' ' 131' ' ' ALA . 65.6 mt -117.48 45.25 1.96 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.473 -0.767 . . . . 0.0 110.211 -178.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.71 38.89 0.1 Allowed Glycine 0 N--CA 1.489 2.215 0 C-N-CA 119.989 -1.101 . . . . 0.0 110.381 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.54 -58.05 0.12 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.806 -1.408 . . . . 0.0 109.519 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.8 m -98.95 36.94 1.6 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.118 -0.989 . . . . 0.0 109.233 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -74.62 118.66 71.86 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.286 -0.884 . . . . 0.0 109.797 -179.346 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -79.4 -174.32 2.23 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.87 1.713 . . . . 0.0 111.32 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.477 ' OD1' ' NE2' ' A' ' 137' ' ' GLN . 42.0 t0 -108.0 127.66 53.96 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.434 -0.791 . . . . 0.0 109.045 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.521 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 96.7 mt -92.61 138.84 31.15 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.42 0.629 . . . . 0.0 110.197 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.521 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 57.5 mm-40 . . . . . 0 N--CA 1.495 1.793 0 CA-C-O 117.878 -1.058 . . . . 0.0 109.044 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ATP . . . . . 0.669 ' O1G' ' ND1' ' A' ' 100' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.31 152.84 88.09 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 121.253 -1.145 . . . . 0.0 109.08 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -72.76 -161.98 0.12 Allowed 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 122.313 2.009 . . . . 0.0 111.942 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -153.13 152.84 31.74 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.272 -0.892 . . . . 0.0 109.369 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.86 170.32 0.17 Allowed Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.24 99.61 1.28 Allowed 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.806 2.337 . . . . 0.0 111.991 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.19 -169.45 0.36 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -46.11 161.86 0.14 Allowed 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.812 2.341 . . . . 0.0 112.28 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.1 t -78.85 -165.48 0.74 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.274 -0.891 . . . . 0.0 109.449 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.93 -159.33 22.55 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.23 140.46 3.66 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.64 -34.01 53.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.283 -1.128 . . . . 0.0 109.477 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -74.83 54.62 0.65 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.253 -0.904 . . . . 0.0 109.485 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.407 ' C ' ' H ' ' A' ' 32' ' ' SER . . . 174.05 -72.83 0.09 OUTLIER Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.58 -16.61 7.71 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.407 ' H ' ' C ' ' A' ' 30' ' ' GLY . 32.6 t -167.81 126.36 1.24 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.285 -1.126 . . . . 0.0 109.484 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.524 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 20.4 pt -73.72 -171.41 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.213 -0.929 . . . . 0.0 109.46 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 33' ' ' ILE . 49.1 m80 -159.6 114.89 2.43 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.244 -0.91 . . . . 0.0 109.449 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.7 p -74.22 -103.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.301 -0.874 . . . . 0.0 109.473 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.81 83.03 0.12 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.31 96.17 0.64 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.226 -1.161 . . . . 0.0 109.431 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.3 mt -143.9 97.47 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.285 -0.884 . . . . 0.0 108.959 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.91 86.91 7.2 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.502 -0.749 . . . . 0.0 109.495 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.27 -174.18 4.38 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.371 -0.831 . . . . 0.0 109.397 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.463 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 90.2 t -74.65 142.66 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.431 -0.793 . . . . 0.0 109.01 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 11.3 m-70 -150.01 145.73 26.59 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.438 -0.789 . . . . 0.0 109.786 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -84.62 94.21 8.56 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.402 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.1 p -87.81 125.0 66.24 Favored Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.185 -0.947 . . . . 0.0 109.198 -179.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -48.23 140.12 20.49 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 121.78 1.653 . . . . 0.0 113.524 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.48 -31.7 72.6 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.834 0.826 . . . . 0.0 109.298 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.9 p -62.03 -28.46 69.6 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.806 -0.558 . . . . 0.0 112.146 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.8 m -101.62 24.97 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 120.85 -1.156 . . . . 0.0 111.393 -178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.3 mt -91.86 126.18 36.85 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.698 -1.251 . . . . 0.0 108.867 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.8 mt -93.95 118.68 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.401 -0.812 . . . . 0.0 110.194 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -134.15 95.33 16.89 Favored Pre-proline 0 N--CA 1.494 1.77 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -97.43 30.53 0.15 Allowed 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 123.103 2.535 . . . . 0.0 112.004 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tp -140.55 124.72 10.63 Favored Pre-proline 0 N--CA 1.498 1.942 0 O-C-N 121.212 -0.93 . . . . 0.0 109.066 -178.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -76.55 167.12 26.13 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.94 1.76 . . . . 0.0 111.787 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.9 m -155.78 162.12 40.55 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.06 -1.025 . . . . 0.0 109.879 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.458 ' CG1' ' O ' ' A' ' 56' ' ' VAL . 2.8 p -99.81 116.98 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.2 mt -98.67 145.89 26.42 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 122.234 1.016 . . . . 0.0 110.826 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -100.81 133.56 21.05 Favored Pre-proline 0 C--N 1.298 -1.636 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.095 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -75.74 -16.75 18.45 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 122.002 1.801 . . . . 0.0 113.145 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.541 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -86.89 -43.02 12.75 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.999 -1.063 . . . . 0.0 109.994 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -70.66 -31.88 68.95 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.269 -0.894 . . . . 0.0 109.677 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.7 t -68.4 -35.94 72.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.922 -1.111 . . . . 0.0 108.968 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -66.73 -35.6 80.49 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.545 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 36.0 t -65.94 -38.0 87.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.34 -0.85 . . . . 0.0 109.216 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.54 -46.63 30.99 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.235 -0.915 . . . . 0.0 108.68 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.7 t -55.17 -34.64 33.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.72 -33.43 58.17 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.467 -0.771 . . . . 0.0 109.622 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 64' ' ' SER . 5.0 m -67.61 -51.74 46.67 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.145 -0.972 . . . . 0.0 109.402 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.609 ' CG2' HH12 ' A' ' 110' ' ' ARG . 16.7 mt -57.9 -41.4 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.376 -0.827 . . . . 0.0 109.151 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.449 ' NE ' ' CD2' ' A' ' 108' ' ' LEU . 59.7 mtt180 -77.04 -32.56 57.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.276 -0.89 . . . . 0.0 110.373 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -86.11 -35.66 20.07 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.845 -1.159 . . . . 0.0 109.855 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -159.41 100.67 1.54 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.231 -0.918 . . . . 0.0 109.439 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.6 -8.7 21.94 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.522 1.482 . . . . 0.0 113.175 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.445 ' C ' ' H ' ' A' ' 76' ' ' VAL . 51.3 m-20 -86.39 -29.99 22.48 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.788 -1.195 . . . . 0.0 110.436 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.483 ' H ' ' HG ' ' A' ' 75' ' ' SER . 3.3 p -77.9 21.27 0.32 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.862 -1.148 . . . . 0.0 109.401 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.445 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.1 t -126.98 103.83 23.36 Favored Pre-proline 0 N--CA 1.499 2.003 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -75.9 162.21 35.1 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 121.75 1.633 . . . . 0.0 113.031 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.18 172.37 16.14 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.852 2.368 . . . . 0.0 112.116 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 pt -112.5 165.91 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -88.82 135.58 33.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.266 -0.896 . . . . 0.0 108.731 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.0 t -136.96 138.74 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.438 -0.789 . . . . 0.0 109.191 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 mt -86.53 127.76 34.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.467 -0.771 . . . . 0.0 110.122 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -104.34 111.06 23.54 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.1 mt -127.82 140.75 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.358 -0.839 . . . . 0.0 109.74 -179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.535 ' HZ1' ' CG ' ' A' ' 91' ' ' ASP . 4.9 tttp -104.62 156.35 18.05 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.681 -0.637 . . . . 0.0 109.478 -179.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.74 -169.79 31.25 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.6 -7.15 36.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.699 -0.883 . . . . 0.0 110.778 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.431 ' C ' ' H ' ' A' ' 90' ' ' GLY . 39.8 mt-30 -129.91 39.3 3.71 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.07 -1.019 . . . . 0.0 110.806 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.433 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 67.67 -10.98 0.95 Allowed Glycine 0 N--CA 1.493 2.48 0 O-C-N 121.125 -0.984 . . . . 0.0 111.674 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -51.99 109.47 0.86 Allowed Glycine 0 N--CA 1.487 2.053 0 O-C-N 120.739 -1.448 . . . . 0.0 109.712 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.535 ' CG ' ' HZ1' ' A' ' 85' ' ' LYS . 3.9 m-20 -77.49 134.3 38.37 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.423 -1.045 . . . . 0.0 109.053 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.1 m-85 -128.95 125.41 37.43 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -102.2 117.26 34.39 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.256 -0.902 . . . . 0.0 110.136 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -105.6 134.11 49.24 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.69 135.79 52.5 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.521 -0.737 . . . . 0.0 109.279 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -135.51 90.63 2.63 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 135.51 -162.53 24.89 Favored Glycine 0 N--CA 1.496 2.638 0 N-CA-C 108.754 -1.739 . . . . 0.0 108.754 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.616 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 45.2 24.91 0.99 Allowed Glycine 0 N--CA 1.495 2.573 0 O-C-N 121.16 -1.2 . . . . 0.0 110.372 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.5 m -58.09 -55.54 33.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.913 -1.345 . . . . 0.0 109.93 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -55.24 -39.74 70.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.04 -1.037 . . . . 0.0 109.596 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.708 ' NH2' ' O1A' ' A' ' 1' ' ' ATP . 43.7 mtm180 -67.46 -31.16 71.13 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.016 -1.053 . . . . 0.0 109.435 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 102' ' ' TYR . 14.5 t80 -66.86 -42.17 86.08 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.955 -1.091 . . . . 0.0 108.515 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.07 -42.77 95.28 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.327 -0.858 . . . . 0.0 109.723 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.13 -46.36 89.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.188 -0.945 . . . . 0.0 109.531 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -68.9 -41.74 77.82 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.183 -0.948 . . . . 0.0 109.057 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -33.32 75.22 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.268 -0.895 . . . . 0.0 109.38 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.509 ' C ' ' H ' ' A' ' 109' ' ' GLN . 29.1 tt0 -70.89 -41.95 70.65 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.342 -0.849 . . . . 0.0 109.514 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.449 ' CD2' ' NE ' ' A' ' 70' ' ' ARG . 93.4 mt -72.05 12.67 0.38 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.208 -0.932 . . . . 0.0 109.444 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.509 ' H ' ' C ' ' A' ' 107' ' ' GLN . 50.1 mm-40 46.82 32.96 1.95 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.384 -0.822 . . . . 0.0 110.267 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.609 HH12 ' CG2' ' A' ' 69' ' ' ILE . 21.7 mmt85 -68.76 156.33 38.5 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.927 -1.108 . . . . 0.0 108.58 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.406 ' CD ' ' N ' ' A' ' 111' ' ' GLU . 5.5 mp0 -80.75 -41.02 24.21 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.406 -0.809 . . . . 0.0 110.694 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 35.0 p -133.95 177.4 7.75 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.031 -1.043 . . . . 0.0 110.58 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.58 141.44 28.34 Favored Pre-proline 0 N--CA 1.503 2.179 0 O-C-N 121.742 -0.599 . . . . 0.0 109.718 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -67.47 130.23 21.87 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 CA-C-N 120.018 1.042 . . . . 0.0 110.754 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -149.0 133.38 17.51 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.198 -0.939 . . . . 0.0 109.713 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -78.52 115.37 18.18 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.522 -0.736 . . . . 0.0 109.169 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 49.3 mt -80.55 135.09 36.03 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.082 -1.012 . . . . 0.0 109.292 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 64.4 t -136.21 111.8 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.467 -0.771 . . . . 0.0 109.025 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.521 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -49.77 131.66 21.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.228 -0.92 . . . . 0.0 109.422 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.4 m -134.27 -179.53 5.63 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.481 -0.762 . . . . 0.0 109.141 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.1 p -127.89 160.68 31.08 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.594 -0.691 . . . . 0.0 109.338 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.4 tp -55.89 -36.5 67.71 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.17 -0.956 . . . . 0.0 109.746 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.3 t -54.54 -45.98 73.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.883 -1.135 . . . . 0.0 109.505 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.22 -46.93 75.96 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.144 -0.973 . . . . 0.0 108.462 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.1 tp -58.86 -38.41 78.7 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.97 -1.081 . . . . 0.0 108.952 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.9 ttt-85 -56.59 -35.33 68.09 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.223 -0.923 . . . . 0.0 109.211 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 81.6 t -59.44 -33.72 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -90.47 -48.7 6.94 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.301 -0.874 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 131' ' ' ALA . 65.9 mt -115.7 44.12 1.95 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.431 -0.793 . . . . 0.0 110.319 -178.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.79 39.0 0.1 Allowed Glycine 0 N--CA 1.488 2.131 0 C-N-CA 119.944 -1.122 . . . . 0.0 110.37 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.6 -57.77 0.12 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.806 -1.408 . . . . 0.0 109.623 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.4 m -98.72 36.55 1.64 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.077 -1.015 . . . . 0.0 109.26 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.1 119.04 75.07 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.404 -0.81 . . . . 0.0 109.884 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -81.33 -174.33 2.16 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.029 1.819 . . . . 0.0 111.422 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.468 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 46.1 t0 -106.09 130.18 54.04 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.425 -0.797 . . . . 0.0 109.001 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.531 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.1 mt -89.84 137.06 32.65 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.525 0.678 . . . . 0.0 110.331 -179.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 61.6 mm-40 . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.289 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ATP . . . . . 0.708 ' O1A' ' NH2' ' A' ' 101' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -167.91 153.23 6.78 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.215 -1.168 . . . . 0.0 109.059 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -36.93 -68.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.314 -1.257 0 C-N-CA 122.446 2.097 . . . . 0.0 112.42 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -75.64 97.15 3.72 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.266 -0.896 . . . . 0.0 109.474 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.99 -59.89 9.98 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -45.87 136.49 13.31 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.748 2.299 . . . . 0.0 112.239 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.7 -178.01 25.04 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -46.11 -67.65 0.11 Allowed 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.758 2.305 . . . . 0.0 112.3 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.8 t -76.92 -173.13 2.57 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.229 -0.919 . . . . 0.0 109.432 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.92 39.19 0.02 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.77 -149.48 6.21 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.94 -16.9 56.35 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -1.149 . . . . 0.0 109.499 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.48 ' C ' ' H ' ' A' ' 31' ' ' GLY . 27.8 mt-30 -58.0 -47.37 83.22 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.247 -0.908 . . . . 0.0 109.504 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -76.32 29.74 1.42 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' A' ' 29' ' ' GLN . . . -78.85 2.49 68.64 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 31' ' ' GLY . 29.5 m -50.6 177.82 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.181 -1.188 . . . . 0.0 109.472 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.6 tt -169.84 -40.14 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.29 -0.881 . . . . 0.0 109.47 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.412 ' C ' ' HG ' ' A' ' 35' ' ' SER . 79.6 m-70 -79.28 100.47 7.56 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.273 -0.892 . . . . 0.0 109.472 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.412 ' HG ' ' C ' ' A' ' 34' ' ' HIS . 36.1 m -170.03 117.12 0.55 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.253 -0.904 . . . . 0.0 109.482 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 160.37 12.46 0.04 OUTLIER Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.459 -1.457 . . . . 0.0 109.459 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -170.05 146.7 3.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.274 -1.133 . . . . 0.0 109.471 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.2 mt -143.52 97.64 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.217 -0.927 . . . . 0.0 109.025 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.14 91.99 7.06 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.461 -0.774 . . . . 0.0 109.386 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.32 -174.12 4.12 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.336 -0.852 . . . . 0.0 109.384 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.2 t -74.62 141.35 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.344 -0.847 . . . . 0.0 108.787 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -145.88 147.58 31.93 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.23 -0.918 . . . . 0.0 109.781 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -84.3 93.09 8.15 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.405 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.6 p -88.05 122.61 69.87 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.188 -0.945 . . . . 0.0 108.672 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -47.06 143.02 10.53 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 121.683 1.588 . . . . 0.0 113.39 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.2 mt -69.98 -29.59 66.73 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.262 -0.899 . . . . 0.0 109.174 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.1 t -71.64 -12.22 61.23 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.516 -0.74 . . . . 0.0 112.54 -177.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 m -113.84 26.22 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.239 0 O-C-N 120.652 -1.28 . . . . 0.0 110.674 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.4 mt -97.78 123.46 41.73 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.974 -1.079 . . . . 0.0 108.908 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.2 mt -87.93 118.88 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.255 -0.903 . . . . 0.0 109.992 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.0 mtp-105 -133.96 93.44 20.28 Favored Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 121.759 -0.588 . . . . 0.0 109.508 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -99.38 29.52 0.13 Allowed 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 123.169 2.58 . . . . 0.0 112.175 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tt -142.03 88.15 9.42 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 121.155 -0.966 . . . . 0.0 109.897 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -48.64 169.51 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.299 1.999 . . . . 0.0 111.964 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m -158.02 165.6 34.66 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.138 -0.977 . . . . 0.0 110.026 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.458 ' CG1' ' O ' ' A' ' 56' ' ' VAL . 2.8 p -95.97 116.76 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.0 mt -96.51 146.2 25.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.106 -0.996 . . . . 0.0 111.028 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -98.85 134.35 21.61 Favored Pre-proline 0 C--N 1.298 -1.632 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.002 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.533 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 92.4 Cg_endo -76.63 -16.18 16.85 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.922 1.748 . . . . 0.0 113.125 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.54 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -87.27 -44.18 11.63 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.866 -1.146 . . . . 0.0 110.036 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -31.6 70.94 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.278 -0.888 . . . . 0.0 109.624 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.8 t -67.5 -53.6 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.993 -1.067 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.533 ' NE2' ' O ' ' A' ' 59' ' ' PRO . 1.4 mt-30 -54.08 -38.67 65.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.208 -0.933 . . . . 0.0 109.043 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.752 ' OG ' ' N1 ' ' A' ' 1' ' ' ATP . 9.5 t -61.57 -37.73 84.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -0.888 . . . . 0.0 109.34 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.55 -47.86 24.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.294 -0.879 . . . . 0.0 108.852 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.6 t -54.41 -28.7 19.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -75.16 -41.8 57.39 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.482 -0.761 . . . . 0.0 109.723 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.8 m -63.59 -50.09 70.79 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.306 -0.871 . . . . 0.0 109.193 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.9 mt -58.04 -40.72 78.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.456 -0.777 . . . . 0.0 109.213 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -76.29 -31.98 58.53 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.325 -0.86 . . . . 0.0 110.444 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -83.3 -36.46 24.45 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.785 -1.197 . . . . 0.0 109.623 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -158.42 96.41 1.83 Allowed Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.385 -0.822 . . . . 0.0 109.329 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.64 -17.56 29.62 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 121.595 1.53 . . . . 0.0 113.605 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -94.12 3.41 55.34 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.729 -1.232 . . . . 0.0 110.359 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.5 m -106.65 14.35 27.03 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.157 -0.964 . . . . 0.0 110.133 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -112.84 136.19 21.64 Favored Pre-proline 0 N--CA 1.501 2.102 0 O-C-N 121.29 -0.881 . . . . 0.0 108.635 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -79.56 162.7 24.59 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 121.879 1.719 . . . . 0.0 113.259 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -82.23 170.8 13.16 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.795 2.33 . . . . 0.0 111.63 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 pt -109.16 163.63 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -89.28 132.71 34.78 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.187 -0.946 . . . . 0.0 108.48 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.89 139.0 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.393 -0.817 . . . . 0.0 109.188 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.7 mt -85.76 131.61 34.29 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.475 -0.765 . . . . 0.0 110.074 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -109.8 105.01 14.06 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 54.8 mt -122.27 147.78 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.354 -0.841 . . . . 0.0 109.97 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.564 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 37.9 mttp -109.17 157.0 19.19 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 121.562 0.696 . . . . 0.0 109.517 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.64 -172.36 36.31 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.75 -6.97 23.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.663 -0.904 . . . . 0.0 110.73 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -128.95 32.92 4.68 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.069 -1.019 . . . . 0.0 110.658 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.59 -14.19 4.5 Favored Glycine 0 N--CA 1.495 2.584 0 O-C-N 121.148 -0.97 . . . . 0.0 111.18 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.47 106.29 0.17 Allowed Glycine 0 N--CA 1.487 2.074 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.564 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 8.8 m-20 -76.11 134.84 39.89 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.465 -1.021 . . . . 0.0 109.137 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 99.0 m-85 -128.7 148.91 50.86 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -121.65 118.92 30.36 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.347 -0.846 . . . . 0.0 110.054 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -108.51 133.38 52.73 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 t -124.37 134.54 53.11 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.534 -0.729 . . . . 0.0 109.328 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -134.87 88.67 2.45 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 133.96 -164.02 24.47 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 108.883 -1.687 . . . . 0.0 108.883 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.571 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 46.7 13.58 0.09 OUTLIER Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.532 ' N ' ' O ' ' A' ' 97' ' ' GLY . 8.0 m -50.14 -49.13 52.99 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.015 -1.285 . . . . 0.0 109.541 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.646 ' ND1' ' O1G' ' A' ' 1' ' ' ATP . 36.4 m80 -57.29 -41.31 79.53 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.193 -0.942 . . . . 0.0 109.563 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.494 ' NH2' ' O1A' ' A' ' 1' ' ' ATP . 39.4 mtm180 -67.03 -30.07 70.05 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.986 -1.071 . . . . 0.0 109.381 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -67.29 -43.86 80.7 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.888 -1.133 . . . . 0.0 108.508 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.55 -48.21 81.63 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.308 -0.87 . . . . 0.0 109.572 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.19 -47.87 82.08 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.182 -0.949 . . . . 0.0 109.274 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -65.27 -35.58 81.46 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.269 -0.895 . . . . 0.0 108.841 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -70.69 -36.54 73.35 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.241 -0.912 . . . . 0.0 109.616 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -67.13 -31.67 72.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.339 -0.851 . . . . 0.0 109.55 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.4 mt -82.4 6.46 17.07 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.253 -0.905 . . . . 0.0 109.659 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 50.8 22.08 1.07 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.339 -0.851 . . . . 0.0 110.347 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -57.27 154.92 9.62 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.943 -1.098 . . . . 0.0 108.415 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -79.91 -41.92 25.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.312 -0.867 . . . . 0.0 110.389 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 33.5 p -133.02 176.96 8.04 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.972 -1.08 . . . . 0.0 110.839 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.8 tt -137.58 141.94 35.18 Favored Pre-proline 0 N--CA 1.499 1.975 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -84.95 119.75 2.2 Favored 'Trans proline' 0 N--CA 1.482 0.838 0 CA-C-N 120.269 1.132 . . . . 0.0 110.92 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -135.37 138.57 43.47 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 121.599 0.714 . . . . 0.0 110.282 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -71.6 115.54 10.9 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.4 mt -80.83 138.18 36.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.962 -1.086 . . . . 0.0 109.244 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 97.7 t -134.29 110.78 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.526 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -48.83 138.62 10.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.186 -0.946 . . . . 0.0 109.442 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.1 m -141.34 -179.0 5.87 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.274 -0.891 . . . . 0.0 109.253 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.1 p -130.67 162.28 29.76 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.544 -0.722 . . . . 0.0 109.368 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 22.9 tp -56.23 -34.41 66.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.905 -1.122 . . . . 0.0 109.605 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.6 t -55.23 -45.46 75.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.874 -1.141 . . . . 0.0 109.212 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -54.95 -42.65 72.6 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.9 tp -63.72 -32.0 73.35 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.204 -0.935 . . . . 0.0 109.123 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -62.83 -34.06 76.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.862 -1.149 . . . . 0.0 109.042 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.29 -34.21 62.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 121.207 -0.933 . . . . 0.0 108.67 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -90.51 -47.5 7.67 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.281 -0.887 . . . . 0.0 110.821 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 131' ' ' ALA . 60.6 mt -119.55 46.19 1.97 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.462 -0.774 . . . . 0.0 110.283 -177.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.68 38.94 0.1 Allowed Glycine 0 N--CA 1.489 2.188 0 C-N-CA 120.006 -1.093 . . . . 0.0 110.395 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.65 -55.88 0.1 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.796 -1.414 . . . . 0.0 109.502 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.8 t -99.84 36.04 1.9 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.191 -0.943 . . . . 0.0 109.363 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.35 117.04 60.22 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.278 -0.889 . . . . 0.0 109.563 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -74.55 -177.81 3.6 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.606 1.538 . . . . 0.0 111.782 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.502 ' OD1' ' NE2' ' A' ' 137' ' ' GLN . 45.5 t0 -104.88 118.1 35.7 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.532 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 97.9 mt -82.72 139.79 33.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.505 -0.747 . . . . 0.0 110.306 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.532 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 63.8 mm-40 . . . . . 0 N--CA 1.496 1.874 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.319 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ATP . . . . . 0.752 ' N1 ' ' OG ' ' A' ' 64' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.6 152.87 23.51 Favored Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.203 -1.175 . . . . 0.0 109.114 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.478 ' C ' ' H ' ' A' ' 21' ' ' GLY . 69.0 Cg_endo -72.73 104.79 1.8 Allowed 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.279 1.986 . . . . 0.0 111.976 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -75.04 37.17 0.12 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.234 -0.916 . . . . 0.0 109.447 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 19' ' ' PRO . . . 161.45 70.49 0.02 OUTLIER Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -46.08 -54.74 4.31 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.8 2.333 . . . . 0.0 112.263 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 179.14 178.24 48.16 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.25 -53.69 0.09 OUTLIER 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.814 2.342 . . . . 0.0 111.984 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.1 t -169.09 -22.37 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.263 -0.898 . . . . 0.0 109.508 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.445 ' C ' ' H ' ' A' ' 28' ' ' ALA . . . 79.25 158.3 13.46 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.23 26.61 2.51 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.445 ' H ' ' C ' ' A' ' 26' ' ' GLY . . . -79.2 -42.63 25.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.279 -1.13 . . . . 0.0 109.484 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -79.31 66.62 4.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.275 -0.891 . . . . 0.0 109.482 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -160.34 170.26 36.33 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.3 81.44 0.73 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -163.96 154.31 15.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.266 -1.138 . . . . 0.0 109.48 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.7 tt -79.47 144.46 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.281 -0.887 . . . . 0.0 109.509 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -80.17 107.22 12.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.224 -0.922 . . . . 0.0 109.501 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.7 t -80.06 -170.79 2.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.278 -0.889 . . . . 0.0 109.475 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.65 -9.31 6.5 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.451 -1.459 . . . . 0.0 109.451 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.729 ' HE ' ' H ' ' A' ' 38' ' ' ILE . 8.7 tpm_? -64.42 150.89 45.54 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.307 -1.113 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.729 ' H ' ' HE ' ' A' ' 37' ' ' ARG . 21.0 mt -142.81 97.64 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.185 -0.947 . . . . 0.0 109.064 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -111.28 119.78 40.03 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -155.71 -174.66 5.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.242 -0.911 . . . . 0.0 109.897 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -76.78 142.13 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -145.42 163.19 35.39 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.207 -0.933 . . . . 0.0 109.789 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 43' ' ' ASN . 10.0 p30 -102.85 94.09 5.4 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.41 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.1 p -87.06 125.7 65.42 Favored Pre-proline 0 N--CA 1.497 1.878 0 O-C-N 121.258 -0.901 . . . . 0.0 109.538 -178.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -47.95 139.77 19.54 Favored 'Trans proline' 0 N--CA 1.499 1.803 0 C-N-CA 121.755 1.637 . . . . 0.0 113.453 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mt -67.5 -29.47 68.9 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.266 -0.896 . . . . 0.0 108.997 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -66.46 -19.07 65.7 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.593 -0.692 . . . . 0.0 112.17 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.8 m -110.77 24.06 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.269 0 O-C-N 120.698 -1.252 . . . . 0.0 110.877 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.5 mt -89.95 123.38 33.82 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.727 -1.233 . . . . 0.0 108.991 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.6 mt -94.1 116.29 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.323 -0.861 . . . . 0.0 109.783 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.5 mtp-105 -135.42 96.19 14.0 Favored Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 121.665 -0.647 . . . . 0.0 109.515 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -95.51 26.97 0.27 Allowed 'Trans proline' 0 C--N 1.314 -1.258 0 C-N-CA 122.883 2.389 . . . . 0.0 111.878 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 tt -141.76 94.75 7.22 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 121.351 -0.843 . . . . 0.0 109.378 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.81 166.61 28.92 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 121.554 1.503 . . . . 0.0 111.726 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m -147.46 168.06 22.86 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.108 -0.995 . . . . 0.0 110.011 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.475 ' CG1' ' O ' ' A' ' 56' ' ' VAL . 3.7 p -85.53 110.94 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 72.4 mt -92.09 146.86 23.39 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.01 -1.056 . . . . 0.0 110.582 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 3.1 t70 -103.13 137.27 19.21 Favored Pre-proline 0 C--N 1.299 -1.597 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -75.75 -15.93 18.87 Favored 'Trans proline' 0 N--CA 1.496 1.656 0 C-N-CA 121.973 1.782 . . . . 0.0 112.66 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.413 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.73 -38.63 18.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.06 -1.025 . . . . 0.0 109.808 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -74.53 -31.91 62.29 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.154 -0.967 . . . . 0.0 109.512 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.25 -36.03 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.994 -1.066 . . . . 0.0 108.868 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -64.59 -40.93 96.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.285 -0.884 . . . . 0.0 109.17 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.54 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 10.3 t -61.55 -37.65 84.56 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.315 -0.866 . . . . 0.0 109.298 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mt -75.07 -47.92 26.43 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.283 -0.886 . . . . 0.0 108.669 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.2 t -55.77 -32.61 32.24 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -76.5 -34.67 58.61 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.531 -0.73 . . . . 0.0 109.647 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 72' ' ' ASP . 5.4 m -67.41 -51.16 55.2 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.073 -1.017 . . . . 0.0 109.393 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.4 mt -57.91 -40.87 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.432 -0.793 . . . . 0.0 109.169 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.9 mtp85 -76.68 -33.46 58.25 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.279 -0.888 . . . . 0.0 110.156 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -87.06 -35.27 18.83 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.822 -1.174 . . . . 0.0 110.2 -179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 68' ' ' THR . 34.7 t0 -157.42 97.36 1.99 Allowed Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.167 -0.958 . . . . 0.0 109.663 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.54 -3.86 14.47 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 121.556 1.504 . . . . 0.0 112.911 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -91.21 -28.47 17.8 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.951 -1.093 . . . . 0.0 110.956 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.4 t -84.2 22.74 1.16 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.705 -1.247 . . . . 0.0 109.561 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 t -118.38 104.07 48.36 Favored Pre-proline 0 N--CA 1.5 2.031 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -75.07 162.37 37.06 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 121.626 1.551 . . . . 0.0 113.045 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.64 171.68 17.71 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.915 2.41 . . . . 0.0 112.151 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.1 pt -110.29 163.17 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.63 128.32 34.53 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.0 t -132.75 137.46 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.355 -0.84 . . . . 0.0 109.038 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.7 mt -86.23 133.05 33.86 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.571 -0.706 . . . . 0.0 110.11 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -110.27 107.36 17.09 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 35.2 mt -125.37 146.04 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 121.363 -0.836 . . . . 0.0 109.8 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.545 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 38.3 mttp -108.61 157.11 18.8 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-O 121.583 0.706 . . . . 0.0 109.565 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.71 -170.57 31.45 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.96 -5.88 19.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.79 -0.829 . . . . 0.0 110.797 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -128.92 30.71 5.03 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.183 -0.948 . . . . 0.0 110.591 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.79 -13.68 4.01 Favored Glycine 0 N--CA 1.495 2.57 0 C-N-CA 120.15 -1.024 . . . . 0.0 110.947 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.52 109.78 0.58 Allowed Glycine 0 N--CA 1.486 2.006 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.545 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 11.6 m-20 -77.88 134.36 37.95 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.421 -1.046 . . . . 0.0 108.89 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 96.1 m-85 -129.32 131.09 46.86 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -105.81 119.94 40.44 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.298 -0.877 . . . . 0.0 110.143 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -107.5 142.52 37.24 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.44 136.34 47.89 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.531 -0.731 . . . . 0.0 109.402 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -137.97 91.28 2.56 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 132.64 -164.2 24.02 Favored Glycine 0 N--CA 1.497 2.723 0 N-CA-C 108.574 -1.81 . . . . 0.0 108.574 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.7 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 45.88 15.63 0.11 Allowed Glycine 0 N--CA 1.493 2.452 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 97' ' ' GLY . 6.5 m -49.81 -51.81 36.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.073 -1.251 . . . . 0.0 109.916 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.401 ' N ' ' O1G' ' A' ' 1' ' ' ATP . 38.3 m80 -59.75 -36.32 76.4 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.105 -0.997 . . . . 0.0 109.576 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.644 ' NH2' ' O1A' ' A' ' 1' ' ' ATP . 42.5 mtm180 -68.27 -29.32 68.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.965 -1.084 . . . . 0.0 109.433 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -68.15 -42.94 79.32 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.995 -1.066 . . . . 0.0 108.81 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.12 -46.65 85.22 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.302 -0.874 . . . . 0.0 109.719 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.06 -46.56 82.38 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.219 -0.926 . . . . 0.0 109.497 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -68.19 -38.28 81.85 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.163 -0.961 . . . . 0.0 109.133 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -67.99 -33.31 74.38 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.178 -0.951 . . . . 0.0 109.551 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -72.56 -38.63 67.89 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.344 -0.848 . . . . 0.0 110.007 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.6 mt -76.58 8.68 3.32 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.166 -0.958 . . . . 0.0 109.863 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 45.15 60.31 3.07 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.293 -0.879 . . . . 0.0 110.197 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -93.18 161.62 14.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.093 -1.004 . . . . 0.0 108.612 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -82.41 -42.73 18.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.298 -0.876 . . . . 0.0 109.842 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 37.2 p -135.52 177.35 7.89 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.983 -1.073 . . . . 0.0 110.033 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.1 tt -138.43 141.0 29.92 Favored Pre-proline 0 N--CA 1.504 2.235 0 O-C-N 121.69 -0.631 . . . . 0.0 109.772 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -68.54 131.09 22.2 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 CA-C-N 120.022 1.044 . . . . 0.0 110.625 178.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -150.27 129.45 12.76 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.142 -0.973 . . . . 0.0 109.992 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -70.9 116.73 11.53 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.4 mt -83.76 137.45 33.73 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.954 -1.091 . . . . 0.0 109.428 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.6 t -137.55 111.88 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.517 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -48.78 138.98 10.4 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.166 -0.959 . . . . 0.0 109.46 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.6 m -141.88 -178.87 5.89 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.278 -0.889 . . . . 0.0 109.426 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.1 p -129.06 160.63 32.17 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.489 -0.757 . . . . 0.0 109.536 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.5 tp -55.54 -35.23 65.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.156 -0.965 . . . . 0.0 109.596 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.5 t -53.88 -45.31 71.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.915 -1.116 . . . . 0.0 109.03 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -55.23 -41.36 71.99 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.229 -0.919 . . . . 0.0 108.619 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.5 tp -64.95 -32.06 73.59 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.069 -1.019 . . . . 0.0 109.137 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -64.12 -34.84 78.97 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.869 -1.145 . . . . 0.0 109.135 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.25 -35.13 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 121.12 -0.988 . . . . 0.0 108.618 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -90.22 -47.47 7.77 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.225 -0.922 . . . . 0.0 110.67 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 131' ' ' ALA . 62.6 mt -118.21 46.15 1.85 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.456 -0.778 . . . . 0.0 110.12 -178.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.4 38.79 0.1 OUTLIER Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -155.39 -54.93 0.09 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.855 -1.379 . . . . 0.0 109.49 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.5 m -100.02 35.59 2.02 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.186 -0.946 . . . . 0.0 109.373 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.77 116.73 57.96 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.271 -0.893 . . . . 0.0 109.519 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -75.26 -178.03 3.94 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.65 1.567 . . . . 0.0 111.797 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.526 ' OD2' ' NE2' ' A' ' 137' ' ' GLN . 26.9 t0 -103.97 118.67 37.22 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.531 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.8 mt -81.41 137.89 35.64 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.497 -0.752 . . . . 0.0 110.492 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 58.6 mm-40 . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 117.978 -1.011 . . . . 0.0 109.173 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ATP . . . . . 0.7 ' O3G' ' N ' ' A' ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 19' ' ' PRO . . . -166.91 153.19 7.88 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.193 -1.181 . . . . 0.0 109.115 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 18' ' ' ALA . 66.8 Cg_exo -36.79 159.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.263 0 C-N-CA 122.415 2.076 . . . . 0.0 112.431 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.475 ' CD ' ' N ' ' A' ' 20' ' ' GLU . 1.4 pm0 -160.94 148.23 15.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.213 -0.929 . . . . 0.0 109.464 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.79 175.19 5.03 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.26 170.0 21.29 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.749 2.299 . . . . 0.0 112.027 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 167.06 178.83 39.7 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.449 -1.461 . . . . 0.0 109.449 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.24 99.86 1.3 Allowed 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.801 2.334 . . . . 0.0 111.971 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.3 t -162.41 -165.95 1.28 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.225 -0.922 . . . . 0.0 109.519 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 168.16 -4.04 0.04 OUTLIER Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 161.54 -9.9 0.11 Allowed Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.508 ' C ' ' H ' ' A' ' 30' ' ' GLY . . . -72.02 -9.37 58.28 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.241 -1.153 . . . . 0.0 109.48 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -72.9 17.11 0.13 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.902 . . . . 0.0 109.484 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.508 ' H ' ' C ' ' A' ' 28' ' ' ALA . . . -160.91 -3.66 0.05 OUTLIER Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 160.79 -79.14 0.16 Allowed Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.7 p -172.52 154.2 3.07 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -1.136 . . . . 0.0 109.472 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.3 tt -49.91 -38.9 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.288 -0.882 . . . . 0.0 109.472 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.415 ' O ' ' O ' ' A' ' 35' ' ' SER . 85.1 t60 -79.5 88.88 5.05 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.292 -0.88 . . . . 0.0 109.446 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 34' ' ' HIS . 23.1 t -49.87 177.14 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.213 -0.929 . . . . 0.0 109.477 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -176.38 144.97 7.24 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -70.38 127.0 31.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -1.125 . . . . 0.0 109.297 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.9 mt -143.8 98.14 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.113 -0.992 . . . . 0.0 109.11 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.37 90.42 5.07 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.483 -0.761 . . . . 0.0 109.324 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -138.43 -174.73 3.89 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.371 -0.831 . . . . 0.0 109.524 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.517 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 92.8 t -75.15 143.52 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.382 -0.824 . . . . 0.0 109.227 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 15.2 m-70 -152.16 141.14 21.17 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.378 -0.826 . . . . 0.0 109.484 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -80.18 96.9 6.69 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.2 p -91.06 124.7 61.01 Favored Pre-proline 0 N--CA 1.498 1.934 0 O-C-N 121.151 -0.968 . . . . 0.0 108.855 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -47.99 142.15 15.96 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 121.688 1.592 . . . . 0.0 113.471 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -67.37 -34.31 77.03 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.816 0.817 . . . . 0.0 109.251 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.3 p -60.49 -34.4 74.0 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.9 -0.5 . . . . 0.0 111.91 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.7 m -94.64 18.63 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.758 -1.214 . . . . 0.0 111.569 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.1 mt -85.32 135.2 34.0 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.519 -1.363 . . . . 0.0 108.452 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.8 mt -103.69 115.85 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.525 -0.735 . . . . 0.0 109.956 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.422 ' NH2' ' HG ' ' A' ' 95' ' ' SER . 94.3 mtt-85 -133.28 95.96 17.81 Favored Pre-proline 0 N--CA 1.495 1.818 0 O-C-N 121.633 -0.667 . . . . 0.0 109.639 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -97.45 29.54 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 122.979 2.452 . . . . 0.0 111.746 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tt -140.81 87.92 10.92 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 121.315 -0.866 . . . . 0.0 109.779 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -49.09 169.42 0.1 OUTLIER 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.455 2.103 . . . . 0.0 112.015 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.6 m -156.53 165.32 36.62 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.132 -0.98 . . . . 0.0 109.893 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.8 t -97.11 110.22 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.2 mt -93.91 146.77 23.67 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.278 -0.889 . . . . 0.0 110.642 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.8 t70 -110.5 139.64 21.75 Favored Pre-proline 0 N--CA 1.492 1.642 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 179.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.57 -21.83 16.49 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.059 1.84 . . . . 0.0 113.004 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.514 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -76.14 -41.65 49.26 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.022 -1.048 . . . . 0.0 110.152 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -73.83 -38.76 64.44 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.177 -0.952 . . . . 0.0 109.509 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 75.0 t -64.73 -35.5 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.006 -1.059 . . . . 0.0 109.265 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -66.65 -38.1 86.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.19 -0.944 . . . . 0.0 108.718 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.605 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 8.7 t -64.59 -37.52 87.83 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.264 -0.897 . . . . 0.0 109.306 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mt -76.27 -46.58 27.32 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.269 -0.894 . . . . 0.0 108.789 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.4 t -55.41 -32.33 29.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -75.99 -35.36 59.62 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.412 -0.805 . . . . 0.0 109.508 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 m -67.32 -51.33 53.85 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.157 -0.964 . . . . 0.0 109.291 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.0 mt -57.61 -41.4 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.371 -0.831 . . . . 0.0 109.141 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -76.73 -32.77 58.01 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.247 -0.908 . . . . 0.0 110.25 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -85.38 -36.34 20.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.81 -1.182 . . . . 0.0 109.944 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -154.27 94.5 2.82 Favored Pre-proline 0 N--CA 1.494 1.728 0 O-C-N 121.261 -0.899 . . . . 0.0 109.41 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.15 -21.02 36.92 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 121.374 1.382 . . . . 0.0 112.977 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -85.52 -23.5 27.69 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.9 -1.125 . . . . 0.0 110.534 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.3 t -80.84 17.77 1.12 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.865 -1.147 . . . . 0.0 109.608 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 t -118.75 113.42 36.2 Favored Pre-proline 0 N--CA 1.499 1.993 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -76.35 162.3 33.79 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 121.66 1.573 . . . . 0.0 113.004 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.09 172.81 15.46 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.792 2.328 . . . . 0.0 112.045 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.4 pt -112.53 165.98 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.703 -0.623 . . . . 0.0 109.522 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -87.87 134.27 33.74 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 121.351 -0.843 . . . . 0.0 108.77 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.0 t -137.56 137.82 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.343 -0.848 . . . . 0.0 109.134 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.3 mt -87.43 136.52 32.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.513 -0.742 . . . . 0.0 109.449 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -116.14 108.47 16.21 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.22 148.79 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.404 -0.81 . . . . 0.0 110.182 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.528 ' HZ3' ' CG ' ' A' ' 91' ' ' ASP . 35.2 mttp -108.78 157.53 18.49 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.678 0.751 . . . . 0.0 110.0 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.07 -164.43 29.92 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.25 -6.94 43.54 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.611 -0.935 . . . . 0.0 110.783 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.452 ' C ' ' H ' ' A' ' 90' ' ' GLY . 36.7 mt-30 -131.17 40.32 3.46 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.02 -1.05 . . . . 0.0 110.696 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.4 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 65.66 -11.41 0.41 Allowed Glycine 0 N--CA 1.494 2.566 0 O-C-N 121.167 -0.958 . . . . 0.0 111.678 178.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.533 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.16 108.46 0.36 Allowed Glycine 0 N--CA 1.487 2.1 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.528 ' CG ' ' HZ3' ' A' ' 85' ' ' LYS . 4.9 m-20 -76.82 131.15 38.5 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.428 -1.042 . . . . 0.0 109.38 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.533 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 94.9 m-85 -126.72 124.59 40.12 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -98.58 119.59 37.56 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.239 -0.913 . . . . 0.0 110.143 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -107.98 131.35 54.65 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.422 ' HG ' ' NH2' ' A' ' 51' ' ' ARG . 2.4 t -122.75 131.59 53.85 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.644 -0.66 . . . . 0.0 109.356 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -131.6 88.14 2.54 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 141.65 -165.59 26.42 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 108.621 -1.792 . . . . 0.0 108.621 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.01 23.06 0.56 Allowed Glycine 0 N--CA 1.494 2.534 0 O-C-N 121.117 -1.226 . . . . 0.0 110.404 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.546 ' N ' ' O1G' ' A' ' 1' ' ' ATP . 5.2 m -53.31 -52.87 57.73 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.908 -1.348 . . . . 0.0 109.658 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.812 ' N ' ' O3G' ' A' ' 1' ' ' ATP . 37.9 m80 -63.51 -38.37 90.88 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.118 -0.989 . . . . 0.0 109.63 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -64.6 -30.61 71.64 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.959 -1.088 . . . . 0.0 109.359 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -67.6 -42.18 82.85 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.178 -0.951 . . . . 0.0 108.611 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.39 -44.29 92.8 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.327 -0.858 . . . . 0.0 109.668 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.44 -45.0 89.38 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.167 -0.958 . . . . 0.0 109.316 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -69.42 -40.79 77.08 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.303 -0.873 . . . . 0.0 109.037 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -65.92 -33.67 76.35 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.209 -0.932 . . . . 0.0 109.611 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.433 ' C ' ' H ' ' A' ' 109' ' ' GLN . 35.1 tt0 -72.06 -39.32 69.12 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.257 -0.902 . . . . 0.0 109.81 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 98.2 mt -75.82 12.33 1.11 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.139 -0.976 . . . . 0.0 109.527 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.433 ' H ' ' C ' ' A' ' 107' ' ' GLN . 14.8 mt-30 44.99 43.02 6.88 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.385 -0.822 . . . . 0.0 110.444 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 20.6 mmt85 -79.45 155.76 28.16 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.0 -1.063 . . . . 0.0 108.574 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -79.39 -41.65 27.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.378 -0.826 . . . . 0.0 110.59 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 37.2 p -133.93 177.24 7.88 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.019 -1.051 . . . . 0.0 110.647 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.71 141.45 27.98 Favored Pre-proline 0 N--CA 1.503 2.211 0 O-C-N 121.637 -0.665 . . . . 0.0 109.832 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -68.76 131.29 22.34 Favored 'Trans proline' 0 N--CA 1.491 1.34 0 C-N-CA 120.909 1.073 . . . . 0.0 110.8 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.83 137.42 15.99 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.265 -0.897 . . . . 0.0 109.288 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.78 122.37 27.6 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 59.1 mt -78.63 138.94 38.57 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.378 -0.826 . . . . 0.0 109.149 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.0 t -133.32 101.89 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.535 HE21 ' N ' ' A' ' 120' ' ' SER . 1.4 tm0? -55.42 127.46 29.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.29 -0.881 . . . . 0.0 109.014 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.535 ' N ' HE21 ' A' ' 119' ' ' GLN . 4.9 m -134.44 -178.23 4.96 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.449 -0.782 . . . . 0.0 109.58 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.1 p -121.79 163.06 19.77 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.603 -0.686 . . . . 0.0 109.521 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.2 tp -57.28 -37.37 72.3 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.051 -1.031 . . . . 0.0 109.81 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.4 t -54.2 -40.16 67.34 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.845 -1.159 . . . . 0.0 109.592 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -62.02 -43.39 98.94 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.933 -1.104 . . . . 0.0 108.621 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.4 tp -60.19 -39.12 85.4 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.005 -1.059 . . . . 0.0 109.033 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 130' ' ' GLY . 17.3 ttp180 -56.83 -37.12 70.79 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.19 -0.944 . . . . 0.0 108.808 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 99.9 t -56.46 -34.15 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.064 -1.022 . . . . 0.0 108.319 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -90.27 -48.78 6.93 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.313 -0.867 . . . . 0.0 110.786 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 131' ' ' ALA . 72.3 mt -116.56 45.29 1.84 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.506 -0.746 . . . . 0.0 110.323 -178.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -64.94 39.1 0.1 Allowed Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.853 -1.165 . . . . 0.0 110.39 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.82 -56.24 0.11 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.856 -1.379 . . . . 0.0 109.552 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.5 p -99.65 36.21 1.83 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.155 -0.966 . . . . 0.0 109.372 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -75.86 119.59 77.87 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.269 -0.894 . . . . 0.0 109.676 -179.376 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -79.41 -174.87 2.46 Favored 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 121.862 1.708 . . . . 0.0 111.516 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.488 ' C ' HE21 ' A' ' 137' ' ' GLN . 45.4 t0 -105.71 117.5 34.17 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.533 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 97.6 mt -81.85 139.05 34.95 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.427 -0.796 . . . . 0.0 110.292 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.533 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 59.2 mm-40 . . . . . 0 N--CA 1.496 1.874 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.256 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ATP . . . . . 0.812 ' O3G' ' N ' ' A' ' 100' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.624 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -78.28 -32.9 0.9 Allowed Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.277 -1.131 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 18' ' ' ALA . 69.6 Cg_endo -90.44 107.56 0.34 Allowed 'Trans proline' 0 C--N 1.318 -1.051 0 C-N-CA 122.179 1.919 . . . . 0.0 112.21 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.489 ' OE1' ' N ' ' A' ' 20' ' ' GLU . 33.0 mp0 -60.74 -18.67 56.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.253 -0.904 . . . . 0.0 109.44 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.96 173.58 1.61 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.25 165.53 30.75 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.821 2.347 . . . . 0.0 112.008 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.62 69.3 1.35 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -46.04 -60.67 0.78 Allowed 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.814 2.343 . . . . 0.0 112.306 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.5 t -68.77 81.8 0.29 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.254 -0.904 . . . . 0.0 109.48 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 163.99 60.23 0.02 OUTLIER Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -77.22 101.89 1.65 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.39 -23.07 57.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.243 -1.151 . . . . 0.0 109.432 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -64.69 -157.13 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.275 -0.891 . . . . 0.0 109.471 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.26 95.73 0.17 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.07 -137.03 1.29 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.2 p -174.89 179.98 1.53 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.292 -1.123 . . . . 0.0 109.482 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.2 pt -151.87 -34.45 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.241 -0.912 . . . . 0.0 109.345 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -75.48 -171.29 1.45 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.282 -0.886 . . . . 0.0 109.45 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.3 t -49.89 105.95 0.1 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 109.456 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.13 46.32 0.41 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -63.93 151.71 41.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.188 -1.183 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.7 mt -143.34 98.3 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.298 -0.876 . . . . 0.0 109.12 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.04 101.48 13.24 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.471 -0.768 . . . . 0.0 109.329 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -148.79 -174.75 4.7 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.237 -0.914 . . . . 0.0 109.779 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.518 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 91.1 t -75.24 144.23 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.476 -0.765 . . . . 0.0 109.185 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 14.5 m-70 -152.25 150.69 30.07 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.348 -0.845 . . . . 0.0 109.691 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -87.68 94.96 9.89 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.408 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.3 p -88.0 124.12 67.53 Favored Pre-proline 0 N--CA 1.497 1.907 0 O-C-N 121.097 -1.002 . . . . 0.0 108.924 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -47.02 142.87 10.56 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 121.846 1.697 . . . . 0.0 113.673 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mt -69.11 -31.26 69.84 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.408 -0.808 . . . . 0.0 109.164 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.5 t -69.14 -14.28 62.9 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.611 -0.681 . . . . 0.0 112.59 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.8 m -112.29 25.11 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.292 0 O-C-N 120.631 -1.293 . . . . 0.0 110.629 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.8 mt -89.13 139.14 30.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.899 -1.126 . . . . 0.0 108.541 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.0 mt -109.23 114.83 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.573 -0.704 . . . . 0.0 109.92 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.452 ' NH2' ' HG ' ' A' ' 95' ' ' SER . 94.4 mtt-85 -133.03 95.65 18.58 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.667 -0.646 . . . . 0.0 109.537 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -96.34 26.77 0.24 Allowed 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 122.863 2.376 . . . . 0.0 112.155 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tt -134.94 102.93 10.92 Favored Pre-proline 0 N--CA 1.502 2.129 0 O-C-N 121.366 -0.834 . . . . 0.0 109.917 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -47.42 169.4 0.06 OUTLIER 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 121.863 1.709 . . . . 0.0 112.055 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.7 m -158.5 162.64 37.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.087 -1.008 . . . . 0.0 109.989 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.448 ' O ' ' CG1' ' A' ' 56' ' ' VAL . 2.6 p -106.11 121.12 58.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.6 mt -105.55 146.71 29.26 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 122.038 0.923 . . . . 0.0 110.827 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.8 t70 -107.24 138.2 19.81 Favored Pre-proline 0 N--CA 1.49 1.533 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 178.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -76.46 -15.53 17.58 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 122.075 1.85 . . . . 0.0 113.105 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.404 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.5 -41.0 15.73 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.054 -1.029 . . . . 0.0 110.133 -179.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -74.99 -31.84 61.52 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.095 -1.003 . . . . 0.0 109.892 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 71.2 t -68.98 -35.91 71.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.009 -1.057 . . . . 0.0 109.427 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -66.76 -45.82 77.31 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.167 -0.958 . . . . 0.0 108.855 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.543 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 40.5 t -57.57 -38.19 74.39 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.187 -0.945 . . . . 0.0 109.321 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 mt -74.56 -50.47 17.9 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.31 -0.869 . . . . 0.0 109.118 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.6 t -55.03 -31.86 26.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -77.27 -37.22 53.37 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.56 -0.712 . . . . 0.0 109.541 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 72' ' ' ASP . 8.7 m -63.73 -51.33 65.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.408 -0.808 . . . . 0.0 109.391 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.0 mt -57.48 -41.3 78.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 121.392 -0.818 . . . . 0.0 109.178 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.56 ' HE ' ' CD2' ' A' ' 108' ' ' LEU . 36.7 mtt-85 -77.15 -30.49 55.06 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.248 -0.908 . . . . 0.0 110.465 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -90.39 -34.26 15.72 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.749 -1.22 . . . . 0.0 110.157 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' THR . 21.4 t70 -158.98 97.8 1.67 Allowed Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.176 -0.953 . . . . 0.0 109.312 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.23 -0.7 10.63 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.647 1.565 . . . . 0.0 113.025 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 75' ' ' SER . 2.7 p30 -88.73 -42.0 12.22 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.959 -1.088 . . . . 0.0 110.096 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.518 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 5.8 m -71.84 24.38 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.036 -1.04 . . . . 0.0 109.919 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.517 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.1 t -124.79 103.3 31.2 Favored Pre-proline 0 N--CA 1.501 2.088 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.535 ' O ' ' NH2' ' A' ' 101' ' ' ARG . 49.3 Cg_endo -76.62 163.07 32.27 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 121.849 1.7 . . . . 0.0 113.035 -178.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.44 173.36 14.64 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 122.875 2.383 . . . . 0.0 112.117 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 pt -112.97 167.12 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -89.82 135.3 33.71 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.206 -0.934 . . . . 0.0 108.864 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.6 t -139.6 139.0 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.348 -0.845 . . . . 0.0 109.42 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.4 mt -85.88 142.46 28.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.349 -0.844 . . . . 0.0 109.467 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.442 ' NE1' ' OD1' ' A' ' 91' ' ' ASP . 12.0 t90 -122.13 109.63 14.77 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.9 mt -128.64 147.73 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 O-C-N 121.462 -0.774 . . . . 0.0 109.973 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.543 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 41.2 mttp -107.22 157.35 17.97 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.663 0.744 . . . . 0.0 109.959 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.44 -167.77 32.63 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.51 -6.95 39.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.695 -0.885 . . . . 0.0 110.852 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -129.36 33.91 4.45 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 120.974 -1.079 . . . . 0.0 110.792 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.07 -14.17 4.0 Favored Glycine 0 N--CA 1.495 2.612 0 O-C-N 121.129 -0.982 . . . . 0.0 111.278 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.524 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -49.42 108.05 0.39 Allowed Glycine 0 N--CA 1.485 1.944 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.543 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 6.1 m-20 -77.25 134.69 38.51 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.385 -1.068 . . . . 0.0 108.75 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.524 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 99.0 m-85 -128.03 126.49 41.38 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -100.93 119.94 39.43 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.25 -0.907 . . . . 0.0 110.137 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -108.31 130.15 55.2 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.81 -0.557 . . . . 0.0 109.546 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.452 ' HG ' ' NH2' ' A' ' 51' ' ' ARG . 2.1 t -121.21 128.44 52.44 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -126.6 87.51 2.67 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 135.29 -157.59 23.22 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 108.045 -2.022 . . . . 0.0 108.045 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.653 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 45.88 27.67 2.45 Favored Glycine 0 N--CA 1.493 2.447 0 O-C-N 121.141 -1.211 . . . . 0.0 110.168 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.665 ' N ' ' PG ' ' A' ' 1' ' ' ATP . 3.8 m -60.31 -54.79 41.47 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.039 -1.271 . . . . 0.0 110.352 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.43 ' H ' ' PG ' ' A' ' 1' ' ' ATP . 44.0 m80 -63.06 -55.02 29.1 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.059 -1.025 . . . . 0.0 109.95 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.558 ' CD ' ' O1A' ' A' ' 1' ' ' ATP . 49.0 mtp180 -53.49 -29.65 37.26 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.875 -1.141 . . . . 0.0 109.029 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -72.26 -44.58 62.62 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.224 -0.922 . . . . 0.0 108.951 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.79 -46.98 83.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.297 -0.877 . . . . 0.0 109.875 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.03 -44.37 82.84 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.274 -0.891 . . . . 0.0 110.005 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -65.39 -37.75 87.92 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.125 -0.984 . . . . 0.0 109.24 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -67.32 -31.53 71.89 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.08 -1.013 . . . . 0.0 109.822 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.423 ' C ' ' H ' ' A' ' 109' ' ' GLN . 36.0 tt0 -72.42 -35.9 68.46 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.157 -0.965 . . . . 0.0 110.258 -179.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.56 ' CD2' ' HE ' ' A' ' 70' ' ' ARG . 99.0 mt -76.76 14.58 0.79 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.12 -0.987 . . . . 0.0 109.783 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.423 ' H ' ' C ' ' A' ' 107' ' ' GLN . 27.4 mt-30 44.81 30.63 0.56 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.386 -0.821 . . . . 0.0 110.421 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -64.18 159.53 20.42 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.053 -1.029 . . . . 0.0 108.752 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -82.75 -43.25 17.0 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.506 -0.746 . . . . 0.0 109.863 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 35.3 p -133.79 177.69 7.52 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.059 -1.026 . . . . 0.0 110.275 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.3 tt -137.35 141.2 33.08 Favored Pre-proline 0 N--CA 1.502 2.161 0 O-C-N 121.754 -0.591 . . . . 0.0 109.866 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -69.62 130.67 19.91 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 CA-C-N 120.102 1.072 . . . . 0.0 110.588 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.84 134.9 13.93 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.228 -0.92 . . . . 0.0 109.462 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -77.53 117.81 19.34 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.295 -0.878 . . . . 0.0 109.002 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 57.2 mt -76.61 139.58 40.68 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.155 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.4 t -133.63 101.85 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.604 HE21 ' N ' ' A' ' 120' ' ' SER . 1.4 tm0? -55.5 130.65 43.63 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.248 -0.907 . . . . 0.0 109.013 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.604 ' N ' HE21 ' A' ' 119' ' ' GLN . 4.9 m -138.83 -179.21 5.69 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.328 -0.857 . . . . 0.0 109.779 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.4 p -119.75 160.83 21.82 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 121.593 0.711 . . . . 0.0 109.443 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.9 tp -54.94 -34.51 63.3 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.156 -0.965 . . . . 0.0 109.707 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.5 m -53.94 -45.96 71.4 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.901 -1.124 . . . . 0.0 109.143 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -55.18 -42.42 73.2 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.163 -0.961 . . . . 0.0 108.695 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.7 tp -63.19 -32.24 73.59 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.981 -1.074 . . . . 0.0 108.999 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.7 ttt-85 -63.68 -33.94 76.75 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.965 -1.084 . . . . 0.0 109.117 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 87.8 t -60.94 -34.48 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 121.158 -0.964 . . . . 0.0 108.6 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -90.28 -47.91 7.48 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.321 -0.862 . . . . 0.0 110.689 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 131' ' ' ALA . 66.3 mt -118.21 45.95 1.89 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.505 -0.747 . . . . 0.0 110.071 -178.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.44 38.52 0.1 OUTLIER Glycine 0 N--CA 1.49 2.272 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.76 -55.35 0.1 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.828 -1.395 . . . . 0.0 109.472 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 39.0 m -100.16 35.54 2.05 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.175 -0.953 . . . . 0.0 109.333 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.55 116.69 55.71 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.256 -0.903 . . . . 0.0 109.581 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -75.98 -178.69 4.55 Favored 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 121.607 1.538 . . . . 0.0 111.654 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.472 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 45.8 t0 -102.45 129.01 48.83 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.529 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 94.6 mt -91.84 137.47 32.34 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 121.482 0.658 . . . . 0.0 110.241 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 60.4 mm-40 . . . . . 0 N--CA 1.498 1.93 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.295 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ATP . . . . . 0.665 ' PG ' ' N ' ' A' ' 99' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -167.13 153.2 7.62 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.233 -1.157 . . . . 0.0 109.128 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -36.88 107.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.314 -1.27 0 C-N-CA 122.471 2.114 . . . . 0.0 112.382 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.453 ' CD ' ' N ' ' A' ' 21' ' ' GLY . 1.4 pp20? -73.26 -161.07 0.09 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.227 -0.921 . . . . 0.0 109.521 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.453 ' N ' ' CD ' ' A' ' 20' ' ' GLU . . . 78.42 60.37 2.68 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.61 142.33 25.96 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.701 2.267 . . . . 0.0 111.986 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.96 -69.43 1.39 Allowed Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.449 ' C ' ' HG ' ' A' ' 25' ' ' SER . 73.0 Cg_endo -75.27 -167.6 0.44 Allowed 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.807 2.338 . . . . 0.0 111.978 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.449 ' HG ' ' C ' ' A' ' 24' ' ' PRO . 49.9 m -162.89 1.33 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.243 -0.91 . . . . 0.0 109.479 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 52.3 -156.77 4.04 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.82 -37.12 0.03 OUTLIER Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.43 -54.65 7.15 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.261 -1.14 . . . . 0.0 109.474 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -78.78 105.37 10.04 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.259 -0.901 . . . . 0.0 109.498 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.62 -142.69 3.78 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.74 12.73 0.04 OUTLIER Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -167.91 143.36 3.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.234 -1.156 . . . . 0.0 109.482 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.2 pp -149.18 -179.63 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.321 -0.862 . . . . 0.0 109.136 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -58.33 127.46 32.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.225 -0.922 . . . . 0.0 109.501 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.0 m -71.17 -71.28 0.27 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.233 -0.917 . . . . 0.0 109.524 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.03 108.0 0.34 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.3 mtt85 -153.77 164.4 38.4 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -1.152 . . . . 0.0 109.354 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.5 mt -143.19 97.23 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.209 -0.932 . . . . 0.0 109.0 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.49 110.36 22.34 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.56 -0.712 . . . . 0.0 109.361 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.02 -175.1 4.83 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.194 -0.941 . . . . 0.0 109.761 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.518 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 86.6 t -76.02 144.66 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.543 -0.723 . . . . 0.0 109.08 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 14.7 m-70 -151.82 140.91 21.24 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.304 -0.872 . . . . 0.0 109.702 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -81.32 95.79 7.1 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.423 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.1 p -88.87 123.38 67.75 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 121.109 -0.994 . . . . 0.0 109.16 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -48.02 140.45 18.89 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 121.781 1.654 . . . . 0.0 113.373 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.66 -30.79 71.13 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.392 -0.817 . . . . 0.0 109.281 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p -62.89 -27.12 69.14 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.777 -0.577 . . . . 0.0 112.11 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.0 m -104.26 24.54 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 O-C-N 120.863 -1.148 . . . . 0.0 111.342 -178.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.6 mt -90.63 138.65 31.4 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.708 -1.245 . . . . 0.0 108.583 178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 63.6 mt -107.41 123.74 62.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.609 -0.682 . . . . 0.0 109.878 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 64.1 mtt85 -132.26 96.03 20.21 Favored Pre-proline 0 N--CA 1.496 1.855 0 O-C-N 121.516 -0.74 . . . . 0.0 109.666 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -95.19 22.63 0.43 Allowed 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 123.132 2.555 . . . . 0.0 112.417 178.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.3 mp -140.19 132.57 14.68 Favored Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.189 -0.944 . . . . 0.0 108.829 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -75.51 167.66 26.09 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.199 1.933 . . . . 0.0 112.275 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.9 m -151.81 162.48 40.97 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.253 -0.905 . . . . 0.0 109.687 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.441 ' CG1' ' O ' ' A' ' 56' ' ' VAL . 2.5 p -107.4 121.48 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.2 mt -105.2 146.6 29.04 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-O 122.049 0.928 . . . . 0.0 110.978 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 3.7 t70 -113.14 139.82 23.51 Favored Pre-proline 0 N--CA 1.49 1.574 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.13 -22.42 16.89 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 121.965 1.777 . . . . 0.0 113.003 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.46 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -78.32 -40.69 35.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.052 -1.03 . . . . 0.0 110.422 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -75.41 -32.28 60.68 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.051 -1.03 . . . . 0.0 110.028 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.8 t -69.92 -35.72 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 120.888 -1.133 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -66.98 -40.85 87.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.178 -0.951 . . . . 0.0 108.785 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 1.504 ' HG ' ' N6 ' ' A' ' 1' ' ' ATP . 10.8 t -62.51 -37.69 87.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.246 -0.909 . . . . 0.0 109.316 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.692 HD23 ' C8 ' ' A' ' 1' ' ' ATP . 9.3 mt -76.23 -47.26 24.6 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.311 -0.868 . . . . 0.0 109.049 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.9 t -55.25 -30.46 24.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -76.81 -39.11 52.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.593 -0.692 . . . . 0.0 109.502 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.5 m -62.09 -47.55 84.12 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.388 -0.82 . . . . 0.0 109.618 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.3 mt -64.7 -36.34 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.586 -0.697 . . . . 0.0 110.058 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 mtp-105 -78.86 -41.56 29.63 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.063 -1.023 . . . . 0.0 111.107 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -90.32 -34.13 15.83 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.812 -1.18 . . . . 0.0 111.501 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.426 ' OD2' ' OD1' ' A' ' 74' ' ' ASP . 16.4 t70 -154.71 93.64 2.79 Favored Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 120.956 -1.09 . . . . 0.0 109.433 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -83.91 8.14 4.79 Favored 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 122.089 1.86 . . . . 0.0 113.297 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.517 ' C ' ' H ' ' A' ' 76' ' ' VAL . 1.9 p30 -87.5 -46.23 9.78 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.995 -1.065 . . . . 0.0 109.822 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.51 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 6.2 m -72.04 28.17 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.217 -0.927 . . . . 0.0 109.795 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.517 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.2 t -120.49 103.2 44.4 Favored Pre-proline 0 N--CA 1.5 2.068 0 O-C-N 121.255 -0.903 . . . . 0.0 108.657 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.529 ' O ' ' NH2' ' A' ' 101' ' ' ARG . 55.5 Cg_endo -77.3 163.03 30.61 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 121.956 1.771 . . . . 0.0 113.015 -178.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.472 ' C ' ' NH2' ' A' ' 101' ' ' ARG . 71.8 Cg_endo -76.84 171.14 18.53 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.884 2.39 . . . . 0.0 112.202 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.1 pt -108.83 167.09 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.616 -0.677 . . . . 0.0 109.431 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -90.25 131.64 35.96 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 121.292 -0.88 . . . . 0.0 109.235 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.3 t -135.83 141.85 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.436 -0.79 . . . . 0.0 108.989 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mp -89.4 141.71 28.31 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.338 -0.851 . . . . 0.0 109.043 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -121.13 113.44 20.02 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.9 mt -133.69 148.97 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.349 -0.845 . . . . 0.0 110.037 -178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.521 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 27.7 mttp -108.12 157.6 18.14 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.808 0.813 . . . . 0.0 110.618 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.91 -173.75 36.25 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.71 -1.356 . . . . 0.0 109.71 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.18 -4.56 10.64 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.661 -0.906 . . . . 0.0 110.901 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -129.08 26.92 5.44 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.181 -0.949 . . . . 0.0 110.738 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.427 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 79.35 -14.85 14.27 Favored Glycine 0 N--CA 1.494 2.567 0 C-N-CA 119.986 -1.102 . . . . 0.0 110.925 178.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.61 109.53 0.55 Allowed Glycine 0 N--CA 1.487 2.036 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.521 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 5.9 m-20 -77.14 134.83 38.58 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.485 -1.009 . . . . 0.0 109.075 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.4 m-85 -129.8 124.35 33.14 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -101.09 122.79 44.21 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.19 -0.944 . . . . 0.0 110.059 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -113.5 132.44 55.68 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.85 136.39 54.05 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -134.49 90.84 2.71 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 130.47 -158.38 22.45 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 108.379 -1.889 . . . . 0.0 108.379 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 1.065 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 45.49 24.74 1.14 Allowed Glycine 0 N--CA 1.493 2.487 0 O-C-N 121.123 -1.222 . . . . 0.0 110.408 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.816 ' N ' ' PG ' ' A' ' 1' ' ' ATP . 4.0 m -56.21 -50.31 71.6 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.894 -1.356 . . . . 0.0 110.033 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.564 ' N ' ' O1G' ' A' ' 1' ' ' ATP . 49.5 m80 -63.51 -53.9 44.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.061 -1.024 . . . . 0.0 109.918 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.529 ' NH2' ' O ' ' A' ' 77' ' ' PRO . 42.9 mtp180 -53.49 -31.54 46.39 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.929 -1.107 . . . . 0.0 109.182 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 102' ' ' TYR . 6.3 t80 -69.57 -39.79 77.15 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.167 -0.958 . . . . 0.0 108.687 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.74 87.68 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.34 -0.85 . . . . 0.0 110.002 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.49 -44.89 85.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.115 -0.991 . . . . 0.0 109.617 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -70.14 -41.81 73.4 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.164 -0.96 . . . . 0.0 109.177 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -31.1 71.53 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.236 -0.915 . . . . 0.0 109.33 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.505 ' C ' ' H ' ' A' ' 109' ' ' GLN . 18.3 tm0? -71.95 -45.68 60.22 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.422 -0.799 . . . . 0.0 109.521 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.58 12.78 0.22 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.316 -0.865 . . . . 0.0 109.92 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.505 ' H ' ' C ' ' A' ' 107' ' ' GLN . 25.9 mt-30 45.38 32.66 1.09 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.289 -0.882 . . . . 0.0 110.368 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 64.2 mmt-85 -63.54 159.53 18.5 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.98 -1.075 . . . . 0.0 108.699 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.43 ' N ' ' OE1' ' A' ' 111' ' ' GLU . 19.2 mp0 -81.55 -41.59 21.4 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.502 -0.749 . . . . 0.0 110.305 -179.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 34.9 p -134.4 177.18 7.96 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.029 -1.044 . . . . 0.0 110.265 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.1 tt -139.05 141.01 28.53 Favored Pre-proline 0 N--CA 1.502 2.157 0 O-C-N 121.625 -0.672 . . . . 0.0 109.817 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.12 131.41 23.59 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 CA-C-N 120.006 1.038 . . . . 0.0 110.51 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.5 134.8 15.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.107 -0.996 . . . . 0.0 109.867 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -78.29 116.77 18.96 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.481 -0.762 . . . . 0.0 109.065 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 53.5 mt -79.14 137.65 37.56 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.061 -1.025 . . . . 0.0 109.5 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 58.5 t -130.43 104.76 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 120' ' ' SER . 1.6 tm0? -60.45 126.28 26.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.317 -0.864 . . . . 0.0 108.75 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.527 ' O ' ' NE2' ' A' ' 119' ' ' GLN . 5.6 m -135.19 -179.26 5.52 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.349 -0.845 . . . . 0.0 109.658 -179.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.9 p -118.04 160.92 20.68 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.4 tp -54.73 -36.77 65.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.976 -1.077 . . . . 0.0 109.769 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 11.6 t -54.72 -46.25 74.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.877 -1.139 . . . . 0.0 109.325 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -55.23 -41.82 72.57 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.159 -0.963 . . . . 0.0 108.695 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.7 tp -63.54 -31.77 73.03 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.068 -1.02 . . . . 0.0 109.229 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 130' ' ' GLY . 25.9 ttt85 -61.31 -37.9 84.89 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.678 -1.264 . . . . 0.0 108.832 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.3 t -57.85 -35.84 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -89.96 -48.67 7.06 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.295 -0.878 . . . . 0.0 110.749 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.541 ' C ' ' H ' ' A' ' 131' ' ' ALA . 96.3 mt -115.15 44.07 1.89 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.471 -0.768 . . . . 0.0 110.019 -178.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -64.94 38.32 0.1 Allowed Glycine 0 N--CA 1.49 2.234 0 N-CA-C 110.391 -1.084 . . . . 0.0 110.391 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.541 ' H ' ' C ' ' A' ' 129' ' ' LEU . . . -154.53 -57.2 0.11 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.787 -1.419 . . . . 0.0 109.562 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 70.8 m -98.72 37.16 1.54 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.102 -0.999 . . . . 0.0 109.276 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.74 116.77 58.33 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.327 -0.858 . . . . 0.0 109.628 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -78.6 -178.83 4.92 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 121.805 1.67 . . . . 0.0 111.95 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.475 ' C ' HE21 ' A' ' 137' ' ' GLN . 40.9 t0 -101.16 114.58 28.67 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.526 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 94.1 mt -81.94 136.85 35.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.402 -0.811 . . . . 0.0 110.525 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 57.3 mm-40 . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 117.899 -1.048 . . . . 0.0 109.084 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ATP . . . . . 1.504 ' N6 ' ' HG ' ' A' ' 64' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.456 -1.458 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -169.97 60.4 0.37 Allowed Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.3 -1.117 . . . . 0.0 109.515 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.53 -163.07 0.17 Allowed 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.724 2.283 . . . . 0.0 112.033 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -160.88 3.04 0.07 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.293 -0.879 . . . . 0.0 109.454 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.22 60.35 2.71 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.58 -7.17 18.43 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.717 2.278 . . . . 0.0 112.036 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.38 69.6 1.22 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -46.13 105.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.789 2.326 . . . . 0.0 112.262 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.9 p -79.25 -173.62 3.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.219 -0.925 . . . . 0.0 109.453 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.23 122.99 0.36 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.29 72.19 2.54 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.28 -3.94 48.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.213 -1.169 . . . . 0.0 109.48 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -160.33 63.86 0.33 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.193 -0.942 . . . . 0.0 109.482 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -160.51 123.91 1.27 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.481 -1.447 . . . . 0.0 109.481 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.59 -75.27 0.04 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.9 t -167.18 125.94 1.35 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.297 -1.119 . . . . 0.0 109.508 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.4 mp -138.9 -18.08 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.403 -0.81 . . . . 0.0 109.183 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -50.69 172.98 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.219 -0.925 . . . . 0.0 109.455 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.4 m -79.58 58.27 2.67 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.254 -0.903 . . . . 0.0 109.52 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.14 122.26 0.01 OUTLIER Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.617 ' H ' ' NE ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -74.57 113.45 11.84 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.233 -1.157 . . . . 0.0 109.254 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.8 mt -142.99 97.97 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.104 -0.998 . . . . 0.0 109.064 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.17 109.66 21.43 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.451 -0.781 . . . . 0.0 109.34 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.81 -175.01 5.13 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.263 -0.898 . . . . 0.0 109.769 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.503 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 87.4 t -75.67 144.21 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.487 -0.758 . . . . 0.0 109.088 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.503 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 13.8 m-70 -151.07 142.34 23.28 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.365 -0.835 . . . . 0.0 109.644 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -82.34 95.04 7.49 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.406 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.2 p -88.61 124.5 65.67 Favored Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 121.169 -0.957 . . . . 0.0 109.111 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -47.9 140.66 17.94 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 121.78 1.653 . . . . 0.0 113.464 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.66 -32.76 74.29 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.831 0.824 . . . . 0.0 109.417 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.2 p -62.25 -27.85 69.29 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.827 -0.546 . . . . 0.0 112.275 -177.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.0 m -101.62 25.28 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 120.833 -1.167 . . . . 0.0 111.462 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.1 mt -89.62 131.28 35.7 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.67 -1.268 . . . . 0.0 108.525 178.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.1 mt -98.3 116.93 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.368 -0.832 . . . . 0.0 109.816 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -133.57 95.19 18.08 Favored Pre-proline 0 N--CA 1.499 1.98 0 O-C-N 121.527 -0.733 . . . . 0.0 109.801 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -98.28 32.67 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 123.195 2.597 . . . . 0.0 111.924 178.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 mp -140.99 137.79 17.35 Favored Pre-proline 0 N--CA 1.5 2.027 0 O-C-N 121.044 -1.035 . . . . 0.0 108.969 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -75.04 167.38 27.14 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.221 1.947 . . . . 0.0 111.853 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.8 m -155.58 160.12 40.22 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.109 -0.994 . . . . 0.0 109.893 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.459 ' CG1' ' O ' ' A' ' 56' ' ' VAL . 2.6 p -108.4 118.0 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.062 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.3 mt -98.12 145.71 26.3 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 122.277 1.037 . . . . 0.0 111.035 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -103.28 134.07 19.97 Favored Pre-proline 0 C--N 1.299 -1.611 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 178.819 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.529 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 77.1 Cg_endo -75.4 -17.74 18.46 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 121.949 1.766 . . . . 0.0 113.199 -178.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.541 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -87.07 -42.85 12.74 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.922 -1.111 . . . . 0.0 110.185 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -70.24 -31.38 68.76 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.217 -0.927 . . . . 0.0 109.786 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.65 -53.43 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.949 -1.094 . . . . 0.0 109.093 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 59' ' ' PRO . 1.5 mt-30 -56.54 -39.17 72.96 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.201 -0.937 . . . . 0.0 108.786 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.428 ' O ' ' OG1' ' A' ' 68' ' ' THR . 43.5 t -61.41 -39.22 89.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.333 -0.854 . . . . 0.0 109.225 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 mt -73.36 -47.12 44.83 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.235 -0.916 . . . . 0.0 108.696 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.9 t -54.37 -35.02 29.45 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -76.05 -33.78 59.59 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.469 -0.77 . . . . 0.0 109.365 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 64' ' ' SER . 3.8 m -67.27 -51.37 53.67 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.213 -0.929 . . . . 0.0 109.258 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.53 ' CG2' HH12 ' A' ' 110' ' ' ARG . 15.5 mt -58.4 -40.9 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.402 -0.812 . . . . 0.0 109.227 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -76.68 -33.09 58.28 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.215 -0.928 . . . . 0.0 110.199 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -86.27 -36.23 19.48 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.915 -1.116 . . . . 0.0 110.027 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -158.53 100.53 1.69 Allowed Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.253 -0.904 . . . . 0.0 109.556 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.49 -9.0 22.48 Favored 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 121.505 1.47 . . . . 0.0 113.245 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.441 ' C ' ' H ' ' A' ' 76' ' ' VAL . 15.4 m-20 -86.23 -29.29 23.26 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.826 -1.171 . . . . 0.0 110.43 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 p -77.97 20.86 0.34 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.847 -1.158 . . . . 0.0 109.514 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.441 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.1 t -129.27 102.7 18.49 Favored Pre-proline 0 N--CA 1.498 1.959 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -76.91 162.36 32.29 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.833 1.688 . . . . 0.0 113.101 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.79 170.16 20.7 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.854 2.369 . . . . 0.0 112.039 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.621 ' CG2' ' HE ' ' A' ' 101' ' ' ARG . 7.7 pt -108.03 167.45 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.639 -0.663 . . . . 0.0 109.784 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -89.1 134.1 34.13 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 37.3 t -138.06 139.45 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.339 -0.851 . . . . 0.0 109.265 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.3 mt -86.92 133.15 33.63 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.401 -0.812 . . . . 0.0 109.849 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.44 ' NE1' ' OD1' ' A' ' 91' ' ' ASP . 11.3 t90 -110.78 111.36 22.48 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.6 mt -129.28 145.76 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 121.369 -0.832 . . . . 0.0 109.863 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.543 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 38.8 mttp -108.57 157.14 18.75 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.616 0.722 . . . . 0.0 109.674 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.55 -168.19 31.22 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.41 -7.13 34.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.683 -0.892 . . . . 0.0 110.778 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -129.81 33.4 4.43 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.01 -1.056 . . . . 0.0 110.77 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.04 -14.26 3.91 Favored Glycine 0 N--CA 1.495 2.587 0 C-N-CA 120.234 -0.984 . . . . 0.0 111.301 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -47.86 108.4 0.34 Allowed Glycine 0 N--CA 1.487 2.037 0 O-C-N 120.849 -1.383 . . . . 0.0 109.693 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.543 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 7.1 m-20 -77.57 135.02 38.13 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.39 -1.065 . . . . 0.0 108.815 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 98.4 m-85 -128.64 126.63 40.58 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -103.08 123.0 45.83 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.227 -0.921 . . . . 0.0 110.356 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -108.2 126.39 52.74 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.794 -0.566 . . . . 0.0 109.483 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.75 119.44 36.04 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -120.02 86.27 2.53 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 177.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 136.0 -151.83 20.85 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 108.389 -1.885 . . . . 0.0 108.389 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.503 ' N ' ' O1G' ' A' ' 1' ' ' ATP . . . 45.76 15.29 0.1 OUTLIER Glycine 0 N--CA 1.494 2.507 0 O-C-N 121.173 -1.193 . . . . 0.0 110.132 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' A' ' 97' ' ' GLY . 5.3 m -51.23 -48.88 61.98 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -1.187 . . . . 0.0 110.125 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -66.18 -54.33 26.58 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.122 -0.986 . . . . 0.0 109.994 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 1.162 ' NH2' ' O2B' ' A' ' 1' ' ' ATP . 80.2 mtm-85 -53.62 -30.76 44.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.961 -1.087 . . . . 0.0 109.578 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -65.79 -43.7 87.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.025 -1.047 . . . . 0.0 108.729 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.14 96.96 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.289 -0.882 . . . . 0.0 109.626 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.3 -48.07 81.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.173 -0.954 . . . . 0.0 109.683 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -66.9 -42.53 85.32 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.165 -0.96 . . . . 0.0 108.888 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.43 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -62.55 -44.56 96.03 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.297 -0.877 . . . . 0.0 109.052 179.782 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.505 ' C ' ' H ' ' A' ' 109' ' ' GLN . 18.2 tm0? -59.46 -46.12 89.68 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.497 -0.752 . . . . 0.0 109.692 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.28 9.11 0.36 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.187 -0.946 . . . . 0.0 109.589 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.505 ' H ' ' C ' ' A' ' 107' ' ' GLN . 17.1 tp60 48.0 37.66 8.08 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.275 -0.891 . . . . 0.0 109.874 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.53 HH12 ' CG2' ' A' ' 69' ' ' ILE . 22.2 mmt85 -73.57 154.18 39.91 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.076 -1.015 . . . . 0.0 108.54 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -78.76 -41.55 30.37 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.321 -0.862 . . . . 0.0 110.351 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 36.4 p -132.1 177.49 7.52 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.093 -1.005 . . . . 0.0 110.675 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.7 tt -139.0 141.52 30.39 Favored Pre-proline 0 N--CA 1.501 2.114 0 O-C-N 121.725 -0.609 . . . . 0.0 109.745 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -68.29 130.78 21.9 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 CA-C-N 120.042 1.051 . . . . 0.0 110.706 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -149.86 134.13 17.27 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.224 -0.923 . . . . 0.0 109.575 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -78.88 112.19 15.8 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.483 -0.761 . . . . 0.0 108.96 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 57.3 mt -74.3 138.98 43.91 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.033 -1.042 . . . . 0.0 108.745 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 57.2 t -135.07 103.85 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.458 -0.776 . . . . 0.0 109.303 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.524 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.5 mp0 -46.07 135.98 7.08 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.273 -0.892 . . . . 0.0 109.609 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -143.89 -179.07 6.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.248 -0.908 . . . . 0.0 109.444 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.7 p -128.18 160.62 31.48 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.603 -0.686 . . . . 0.0 109.276 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.3 tp -54.7 -33.7 61.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.162 -0.961 . . . . 0.0 109.703 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.7 t -55.9 -44.2 78.01 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.948 -1.095 . . . . 0.0 109.463 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -58.69 -41.47 86.33 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.038 -1.039 . . . . 0.0 108.899 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.46 -38.35 89.47 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.044 -1.035 . . . . 0.0 109.136 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 130' ' ' GLY . 18.8 ttp180 -58.73 -37.56 76.44 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.051 -1.031 . . . . 0.0 108.743 179.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 83.3 t -56.7 -34.71 43.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.086 -1.009 . . . . 0.0 108.509 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -90.54 -48.37 7.13 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.282 -0.886 . . . . 0.0 110.833 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 131' ' ' ALA . 80.0 mt -115.98 44.19 1.98 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.444 -0.785 . . . . 0.0 110.317 -178.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -65.1 39.36 0.11 Allowed Glycine 0 N--CA 1.49 2.255 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.36 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.74 -57.2 0.13 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.845 -1.386 . . . . 0.0 109.483 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.2 p -99.7 35.79 1.93 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.158 -0.964 . . . . 0.0 109.288 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.8 118.52 70.92 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.303 -0.873 . . . . 0.0 109.788 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -80.48 -175.12 2.54 Favored 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 121.928 1.752 . . . . 0.0 111.291 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.518 ' OD1' ' NE2' ' A' ' 137' ' ' GLN . 43.4 t0 -105.0 128.33 53.26 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.749 0.785 . . . . 0.0 108.929 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.526 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.9 mt -89.64 137.67 32.13 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 121.485 0.659 . . . . 0.0 110.247 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 60.1 mm-40 . . . . . 0 N--CA 1.497 1.895 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.315 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ATP . . . . . 1.162 ' O2B' ' NH2' ' A' ' 101' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.416 ' H ' ' HD2' ' A' ' 19' ' ' PRO . . . -171.19 -54.05 0.0 OUTLIER Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.225 -1.162 . . . . 0.0 109.799 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.416 ' HD2' ' H ' ' A' ' 18' ' ' ALA . 97.0 Cg_exo -43.37 93.16 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 121.993 1.795 . . . . 0.0 112.261 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -169.26 109.02 0.45 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.227 -0.921 . . . . 0.0 109.517 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 176.97 -59.86 0.1 OUTLIER Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -45.89 -36.87 16.07 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.729 2.286 . . . . 0.0 112.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.64 177.23 43.62 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.27 85.09 1.6 Allowed 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.742 2.295 . . . . 0.0 112.002 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.9 p -58.04 146.35 33.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.236 -0.915 . . . . 0.0 109.464 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.11 -172.55 42.59 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 161.04 50.55 0.02 OUTLIER Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.476 -1.449 . . . . 0.0 109.476 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.07 -41.32 42.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.23 -1.159 . . . . 0.0 109.507 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -153.18 -89.69 0.05 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.26 -0.9 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.06 -93.19 0.22 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 49.94 -119.25 6.61 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.0 t -64.48 116.81 6.5 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.188 -1.184 . . . . 0.0 109.487 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.3 pt -74.09 -113.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 0.0 109.373 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.423 ' CD2' ' N ' ' A' ' 34' ' ' HIS . 8.8 m170 -79.31 3.05 19.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.107 -0.996 . . . . 0.0 109.482 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.3 t -79.36 144.68 33.95 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.305 -0.872 . . . . 0.0 109.497 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 160.59 -122.45 1.12 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -68.8 142.64 54.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.236 -1.156 . . . . 0.0 109.457 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.7 mt -143.94 98.53 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.261 -0.9 . . . . 0.0 108.994 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.13 87.59 7.23 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.453 -0.779 . . . . 0.0 109.542 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -138.74 -175.06 4.0 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.359 -0.838 . . . . 0.0 109.355 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.516 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 90.6 t -75.47 143.29 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.388 -0.82 . . . . 0.0 109.292 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.516 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 15.7 m-70 -151.88 142.24 22.49 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.353 -0.842 . . . . 0.0 109.628 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -81.15 96.26 7.15 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.2 p -90.64 125.64 58.77 Favored Pre-proline 0 N--CA 1.498 1.975 0 O-C-N 121.182 -0.948 . . . . 0.0 109.052 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -47.92 141.01 17.5 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 121.869 1.713 . . . . 0.0 113.677 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mt -66.81 -33.57 75.9 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.876 0.846 . . . . 0.0 109.369 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.1 p -60.95 -27.59 68.36 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.838 -0.539 . . . . 0.0 112.175 -177.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 m -102.59 25.85 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 120.847 -1.158 . . . . 0.0 111.545 -178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.5 mt -91.38 127.61 36.88 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.674 -1.266 . . . . 0.0 108.672 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.0 mt -96.46 119.19 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.262 -0.899 . . . . 0.0 110.397 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -133.85 95.15 17.61 Favored Pre-proline 0 N--CA 1.494 1.729 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -97.96 27.97 0.17 Allowed 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 122.965 2.443 . . . . 0.0 111.679 178.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.2 tp -142.48 87.8 9.13 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.266 -0.896 . . . . 0.0 109.649 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -47.79 169.28 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.551 2.167 . . . . 0.0 112.339 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -156.85 165.52 35.97 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.919 . . . . 0.0 109.816 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.455 ' CG1' ' O ' ' A' ' 56' ' ' VAL . 2.8 p -96.98 117.84 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.3 mt -100.46 146.14 27.4 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 122.14 0.971 . . . . 0.0 110.865 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -101.2 132.85 21.4 Favored Pre-proline 0 C--N 1.299 -1.626 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 178.867 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -75.6 -17.07 18.55 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 121.975 1.783 . . . . 0.0 113.193 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.529 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -86.97 -43.1 12.62 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.983 -1.073 . . . . 0.0 110.012 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -70.08 -31.53 69.16 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.24 -0.912 . . . . 0.0 109.797 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.73 -50.68 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.911 -1.118 . . . . 0.0 108.997 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -51.16 -46.75 62.16 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.238 -0.914 . . . . 0.0 109.211 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.5 t -53.53 -40.9 65.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.271 -0.893 . . . . 0.0 109.313 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.574 ' CD2' HH21 ' A' ' 101' ' ' ARG . 5.1 mt -69.23 -46.33 67.61 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.5 t -55.35 -30.37 25.22 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.93 -35.74 59.63 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.484 -0.76 . . . . 0.0 109.875 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.1 m -68.0 -46.69 70.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.07 -1.019 . . . . 0.0 109.298 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.4 mt -62.96 -39.5 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.405 -0.809 . . . . 0.0 109.318 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 -76.87 -34.93 57.77 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.251 -0.906 . . . . 0.0 110.255 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -87.07 -35.27 18.81 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.892 -1.13 . . . . 0.0 110.43 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -155.81 96.53 2.35 Favored Pre-proline 0 N--CA 1.493 1.707 0 O-C-N 121.092 -1.005 . . . . 0.0 109.743 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.71 -3.33 13.73 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 121.588 1.526 . . . . 0.0 112.88 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -91.19 -30.04 16.89 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.921 -1.112 . . . . 0.0 110.843 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.0 m -81.96 22.43 0.78 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.669 -1.27 . . . . 0.0 109.571 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.84 104.11 47.33 Favored Pre-proline 0 N--CA 1.498 1.973 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -75.67 162.23 35.68 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 121.744 1.629 . . . . 0.0 113.045 -178.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.3 172.29 16.62 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.903 2.402 . . . . 0.0 112.187 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 pt -112.12 165.54 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -87.24 134.15 33.58 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.262 -0.899 . . . . 0.0 108.857 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.6 t -137.68 138.14 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.354 -0.841 . . . . 0.0 109.395 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.9 mt -87.33 137.75 32.07 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.537 -0.727 . . . . 0.0 110.008 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -114.8 108.42 16.73 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 29.0 mt -126.24 146.03 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.366 -0.834 . . . . 0.0 109.957 -178.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.53 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 34.6 mttp -108.71 157.21 18.75 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 121.669 0.747 . . . . 0.0 109.788 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.23 -164.5 29.75 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.06 -7.14 44.34 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.635 -0.92 . . . . 0.0 110.9 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.463 ' C ' ' H ' ' A' ' 90' ' ' GLY . 36.9 mt-30 -130.47 40.19 3.54 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 121.025 -1.047 . . . . 0.0 110.666 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.89 -10.33 0.35 Allowed Glycine 0 N--CA 1.495 2.577 0 O-C-N 121.214 -0.929 . . . . 0.0 111.732 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.539 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.04 108.82 0.39 Allowed Glycine 0 N--CA 1.487 2.036 0 O-C-N 120.758 -1.437 . . . . 0.0 109.51 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.53 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 3.8 m-20 -76.49 130.92 38.64 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.458 -1.025 . . . . 0.0 109.21 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.539 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 94.2 m-85 -127.98 124.92 38.43 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -100.18 117.24 34.01 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.203 -0.936 . . . . 0.0 110.084 -178.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -103.98 134.1 47.82 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.63 133.33 52.27 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.531 -0.73 . . . . 0.0 109.225 179.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -132.5 90.15 2.75 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 178.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 136.52 -159.86 24.59 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 107.838 -2.105 . . . . 0.0 107.838 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.34 25.2 1.16 Allowed Glycine 0 N--CA 1.495 2.582 0 O-C-N 121.107 -1.231 . . . . 0.0 110.321 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.5 m -61.76 -56.61 17.68 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.067 -1.255 . . . . 0.0 109.877 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.448 ' HB2' ' O2G' ' A' ' 1' ' ' ATP . 37.0 m80 -60.22 -37.6 80.8 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.128 -0.983 . . . . 0.0 109.766 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.574 HH21 ' CD2' ' A' ' 65' ' ' LEU . 11.7 ttm180 -67.66 -29.92 69.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.894 -1.129 . . . . 0.0 109.477 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -66.3 -43.01 87.47 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.015 -1.053 . . . . 0.0 108.861 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.19 -45.22 91.64 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.354 -0.842 . . . . 0.0 109.717 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.66 -40.73 84.31 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.145 -0.972 . . . . 0.0 109.286 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -72.08 -42.88 65.65 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.227 -0.921 . . . . 0.0 109.016 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -61.14 -51.25 69.86 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 121.176 -0.953 . . . . 0.0 109.467 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.422 ' C ' ' H ' ' A' ' 109' ' ' GLN . 12.3 tm0? -54.64 -40.99 69.54 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.395 -0.815 . . . . 0.0 109.878 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.7 mt -72.96 7.0 2.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 109.586 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.422 ' H ' ' C ' ' A' ' 107' ' ' GLN . 32.3 mt-30 47.09 35.3 3.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.299 -0.875 . . . . 0.0 110.0 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -69.39 156.8 38.23 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.081 -1.012 . . . . 0.0 108.618 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -82.04 -42.14 19.69 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.352 -0.842 . . . . 0.0 110.581 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 33.5 p -134.29 177.2 7.94 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.016 -1.053 . . . . 0.0 110.408 -178.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.6 tt -140.25 141.22 25.53 Favored Pre-proline 0 N--CA 1.502 2.171 0 O-C-N 121.661 -0.649 . . . . 0.0 109.867 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -67.82 131.06 23.18 Favored 'Trans proline' 0 N--CA 1.492 1.407 0 C-N-CA 120.9 1.066 . . . . 0.0 110.646 177.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.12 133.79 13.79 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.162 -0.961 . . . . 0.0 109.526 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -77.78 120.4 22.62 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.371 -0.831 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 55.8 mt -78.54 134.64 37.24 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.165 -0.96 . . . . 0.0 108.958 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 28.1 t -126.16 105.66 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.553 ' NE2' ' N ' ' A' ' 120' ' ' SER . 0.0 OUTLIER -55.84 126.13 24.33 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 118.914 -1.115 . . . . 0.0 108.006 179.246 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.553 ' N ' ' NE2' ' A' ' 119' ' ' GLN . 5.6 m -133.47 -178.37 4.96 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.284 -0.885 . . . . 0.0 109.927 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.1 p -126.72 160.85 29.61 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.47 -0.769 . . . . 0.0 109.299 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.6 tp -54.34 -33.63 59.41 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.922 -1.111 . . . . 0.0 109.481 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.0 m -55.92 -43.21 77.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.946 -1.096 . . . . 0.0 109.206 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -57.71 -42.07 82.99 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.058 -1.026 . . . . 0.0 108.58 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.61 -32.77 74.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.126 -0.984 . . . . 0.0 109.473 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -32.22 73.7 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.776 -1.202 . . . . 0.0 108.767 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.63 -34.55 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 O-C-N 121.008 -1.058 . . . . 0.0 108.451 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -90.37 -47.77 7.53 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.278 -0.889 . . . . 0.0 110.679 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.557 ' C ' ' H ' ' A' ' 131' ' ' ALA . 58.9 mt -118.09 46.65 1.74 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.574 -0.704 . . . . 0.0 110.223 -178.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.57 38.34 0.1 OUTLIER Glycine 0 N--CA 1.49 2.283 0 C-N-CA 119.939 -1.124 . . . . 0.0 110.345 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.557 ' H ' ' C ' ' A' ' 129' ' ' LEU . . . -155.65 -54.1 0.09 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.852 -1.381 . . . . 0.0 109.446 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.4 m -99.58 36.48 1.77 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.153 -0.967 . . . . 0.0 109.42 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -77.91 117.86 68.54 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.288 -0.882 . . . . 0.0 109.481 -179.555 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -80.4 -175.06 2.5 Favored 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.974 1.783 . . . . 0.0 111.596 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.467 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 48.7 t0 -104.02 128.61 51.6 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.739 0.78 . . . . 0.0 108.979 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.533 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.9 mt -91.39 138.7 31.37 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-O 121.506 0.67 . . . . 0.0 110.401 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.533 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 59.1 mm-40 . . . . . 0 N--CA 1.496 1.858 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.275 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ATP . . . . . 0.448 ' O2G' ' HB2' ' A' ' 100' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.29 152.85 88.13 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.259 -1.142 . . . . 0.0 109.103 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -72.72 -19.48 24.06 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.307 2.004 . . . . 0.0 111.951 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.401 ' OE2' ' N ' ' A' ' 21' ' ' GLY . 9.0 tp10 -164.75 122.69 1.68 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.257 -0.902 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.401 ' N ' ' OE2' ' A' ' 20' ' ' GLU . . . 163.91 -174.25 40.03 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -46.14 163.52 0.1 OUTLIER 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.798 2.332 . . . . 0.0 112.272 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -167.98 -68.27 0.03 OUTLIER Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.22 1.74 7.5 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.82 2.347 . . . . 0.0 112.034 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.469 ' OG ' ' N ' ' A' ' 26' ' ' GLY . 17.0 t -167.89 -173.63 2.16 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.261 -0.9 . . . . 0.0 109.446 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.469 ' N ' ' OG ' ' A' ' 25' ' ' SER . . . 163.52 38.67 0.02 OUTLIER Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.521 -1.431 . . . . 0.0 109.521 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.59 148.82 9.64 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.63 -5.03 22.0 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.261 -1.141 . . . . 0.0 109.452 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -153.21 147.65 25.97 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.251 -0.906 . . . . 0.0 109.349 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.407 ' C ' ' H ' ' A' ' 32' ' ' SER . . . 172.24 -46.79 0.17 Allowed Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.86 38.84 1.97 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.407 ' H ' ' C ' ' A' ' 30' ' ' GLY . 30.2 t -71.53 152.78 42.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.262 -1.14 . . . . 0.0 109.454 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.514 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 13.2 pt -153.28 -179.43 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.277 -0.89 . . . . 0.0 109.354 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' A' ' 33' ' ' ILE . 70.8 m80 -159.62 -32.25 0.06 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.263 -0.898 . . . . 0.0 109.443 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.0 t -164.76 177.06 8.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.236 -0.915 . . . . 0.0 109.481 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.35 -124.11 6.41 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -65.55 150.43 48.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.282 -1.128 . . . . 0.0 109.455 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.5 mt -143.41 97.9 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.308 -0.87 . . . . 0.0 108.999 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.25 100.89 12.22 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.464 -0.772 . . . . 0.0 109.409 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.48 -175.12 4.65 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.213 -0.929 . . . . 0.0 109.559 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.505 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 91.6 t -75.58 143.45 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.444 -0.785 . . . . 0.0 109.192 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.505 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 14.9 m-70 -151.5 143.0 23.55 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.37 -0.831 . . . . 0.0 109.651 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -82.41 96.14 7.88 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.402 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.1 p -89.74 125.11 62.12 Favored Pre-proline 0 N--CA 1.498 1.953 0 O-C-N 121.139 -0.976 . . . . 0.0 109.126 -179.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -48.31 140.36 20.56 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 121.756 1.637 . . . . 0.0 113.55 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -66.45 -32.21 73.43 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.802 0.81 . . . . 0.0 109.298 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.4 p -62.28 -27.25 68.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.871 -0.518 . . . . 0.0 112.308 -177.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.4 m -103.09 25.81 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.26 0 O-C-N 120.778 -1.202 . . . . 0.0 111.467 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.0 mt -90.07 138.36 31.58 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.646 -1.284 . . . . 0.0 108.512 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.6 mt -105.97 116.79 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.49 -0.756 . . . . 0.0 109.867 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -133.38 96.26 17.32 Favored Pre-proline 0 N--CA 1.495 1.814 0 O-C-N 121.634 -0.666 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -96.92 28.55 0.19 Allowed 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 122.97 2.447 . . . . 0.0 111.551 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tt -140.28 105.33 6.59 Favored Pre-proline 0 N--CA 1.498 1.945 0 O-C-N 121.311 -0.868 . . . . 0.0 109.476 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.53 165.25 30.89 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 121.502 1.468 . . . . 0.0 112.009 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 m -153.94 167.79 28.57 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.996 -1.065 . . . . 0.0 109.958 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.7 t -95.32 109.46 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 72.6 mt -88.37 146.62 25.16 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.117 0.961 . . . . 0.0 110.87 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -96.9 131.69 27.37 Favored Pre-proline 0 C--N 1.298 -1.66 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -75.75 -16.69 18.47 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 121.998 1.799 . . . . 0.0 113.132 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.535 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -86.8 -43.15 12.73 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.003 -1.061 . . . . 0.0 109.999 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -70.1 -31.74 69.45 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.226 -0.921 . . . . 0.0 109.687 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.49 -35.96 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.952 -1.093 . . . . 0.0 109.125 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -66.08 -38.72 88.99 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.157 -0.965 . . . . 0.0 108.743 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.415 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 23.7 t -61.47 -37.76 84.77 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.27 -0.894 . . . . 0.0 109.276 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mt -73.25 -46.66 48.73 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.1 t -55.67 -30.04 26.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -76.2 -38.76 56.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.558 -0.714 . . . . 0.0 109.561 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.9 m -64.31 -51.35 63.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.374 -0.829 . . . . 0.0 109.332 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.6 mt -58.55 -40.69 79.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.414 -0.804 . . . . 0.0 109.338 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.584 ' HE ' ' CD2' ' A' ' 108' ' ' LEU . 50.6 mtt-85 -77.03 -31.67 56.47 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.258 -0.901 . . . . 0.0 110.396 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -87.26 -36.74 17.75 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.86 -1.15 . . . . 0.0 110.066 -179.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -155.68 94.26 2.54 Favored Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.233 -0.917 . . . . 0.0 109.667 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.13 -13.54 28.58 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.54 1.493 . . . . 0.0 113.189 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -93.08 2.01 56.95 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.815 -1.178 . . . . 0.0 110.047 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.3 t -106.47 19.31 20.69 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.313 -0.867 . . . . 0.0 109.518 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.9 t -124.22 115.5 27.37 Favored Pre-proline 0 N--CA 1.501 2.104 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -75.34 162.34 36.4 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 121.675 1.584 . . . . 0.0 113.141 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.53 170.56 19.7 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.802 2.335 . . . . 0.0 112.087 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.4 pt -109.78 167.38 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.696 -0.627 . . . . 0.0 109.508 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -90.35 137.0 32.71 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.275 -0.89 . . . . 0.0 108.797 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.1 t -138.28 138.58 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.33 -0.856 . . . . 0.0 109.576 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.9 mt -86.86 132.64 33.77 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.441 -0.787 . . . . 0.0 109.184 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -113.43 111.93 22.77 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.2 mt -128.64 145.0 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.45 -0.781 . . . . 0.0 109.933 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.55 ' HZ1' ' CG ' ' A' ' 91' ' ' ASP . 5.0 tttp -105.25 156.89 17.7 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.633 -0.667 . . . . 0.0 109.512 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.37 -168.81 31.57 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.49 -7.89 50.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.659 -0.906 . . . . 0.0 111.013 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -126.09 25.7 6.67 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.054 -1.029 . . . . 0.0 110.554 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.443 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 80.62 -12.72 32.88 Favored Glycine 0 N--CA 1.494 2.501 0 O-C-N 121.074 -1.016 . . . . 0.0 111.173 178.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.524 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -51.02 111.15 1.16 Allowed Glycine 0 N--CA 1.485 1.962 0 O-C-N 120.913 -1.346 . . . . 0.0 109.738 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.55 ' CG ' ' HZ1' ' A' ' 85' ' ' LYS . 3.9 m-20 -77.32 133.61 38.72 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.364 -1.08 . . . . 0.0 109.098 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.524 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.0 m-85 -127.89 123.75 35.77 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -99.68 121.3 41.03 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.217 -0.927 . . . . 0.0 110.122 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -109.34 130.33 55.5 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.56 130.36 53.47 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -129.19 89.83 2.92 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.41 ' C ' ' O3G' ' A' ' 1' ' ' ATP . . . 134.23 -160.37 24.12 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 108.017 -2.033 . . . . 0.0 108.017 -179.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.605 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 45.76 26.78 1.98 Allowed Glycine 0 N--CA 1.493 2.481 0 O-C-N 121.151 -1.205 . . . . 0.0 110.233 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.808 ' H ' ' PG ' ' A' ' 1' ' ' ATP . 3.2 m -63.95 -57.05 10.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.035 -1.273 . . . . 0.0 110.308 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.548 ' H ' ' PG ' ' A' ' 1' ' ' ATP . 31.3 m80 -56.3 -36.55 68.78 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.975 -1.078 . . . . 0.0 109.705 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.735 ' NH2' ' O1A' ' A' ' 1' ' ' ATP . 39.2 mtm180 -69.26 -30.9 69.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.951 -1.093 . . . . 0.0 109.59 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -65.23 -42.99 92.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.898 -1.126 . . . . 0.0 108.412 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.21 89.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.367 -0.833 . . . . 0.0 109.571 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.3 93.07 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.143 -0.973 . . . . 0.0 109.413 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -68.28 -42.71 79.12 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.174 -0.954 . . . . 0.0 108.817 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -61.6 -47.56 84.9 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.295 -0.878 . . . . 0.0 109.387 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.428 ' C ' ' H ' ' A' ' 109' ' ' GLN . 34.6 tt0 -58.03 -42.34 85.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.358 -0.839 . . . . 0.0 109.946 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.584 ' CD2' ' HE ' ' A' ' 70' ' ' ARG . 99.9 mt -73.34 7.79 2.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.111 -0.993 . . . . 0.0 109.514 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.428 ' H ' ' C ' ' A' ' 107' ' ' GLN . 10.1 tp60 45.79 40.78 6.82 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.346 -0.846 . . . . 0.0 110.087 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 72.0 mmt-85 -73.97 159.4 32.79 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.013 -1.054 . . . . 0.0 108.652 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -82.26 -42.53 18.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.381 -0.824 . . . . 0.0 110.305 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 35.1 p -134.35 177.22 7.93 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.021 -1.049 . . . . 0.0 110.615 -178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -140.32 141.26 25.44 Favored Pre-proline 0 N--CA 1.502 2.156 0 O-C-N 121.72 -0.613 . . . . 0.0 109.8 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -67.41 131.72 25.51 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 120.935 1.09 . . . . 0.0 110.858 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.8 133.47 13.86 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.22 -0.925 . . . . 0.0 109.54 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -77.55 114.22 16.17 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.444 -0.785 . . . . 0.0 108.98 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 61.0 mt -74.08 137.83 43.58 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.012 -1.055 . . . . 0.0 109.164 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.3 t -133.84 101.73 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.533 ' NE2' ' O ' ' A' ' 120' ' ' SER . 1.5 tm0? -54.03 128.01 28.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.268 -0.895 . . . . 0.0 108.919 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.533 ' O ' ' NE2' ' A' ' 119' ' ' GLN . 4.5 m -133.79 -178.3 4.95 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.413 -0.804 . . . . 0.0 109.591 -179.139 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.7 p -122.61 160.9 24.77 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.544 -0.723 . . . . 0.0 109.381 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.7 tp -55.91 -35.72 66.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.031 -1.043 . . . . 0.0 109.72 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 69.8 m -55.4 -38.06 68.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.928 -1.107 . . . . 0.0 109.584 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -64.85 -44.68 88.97 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.006 -1.059 . . . . 0.0 108.601 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.0 tp -59.27 -39.11 81.85 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.075 -1.016 . . . . 0.0 109.037 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 130' ' ' GLY . 1.0 OUTLIER -56.3 -40.93 75.12 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.229 -0.919 . . . . 0.0 108.82 179.206 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 97.7 t -53.44 -33.56 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.075 -1.015 . . . . 0.0 108.481 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -90.37 -48.58 7.04 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.28 -0.887 . . . . 0.0 111.008 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 131' ' ' ALA . 75.5 mt -116.96 44.28 2.1 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.451 -0.78 . . . . 0.0 110.758 -177.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -64.14 39.54 0.09 OUTLIER Glycine 0 N--CA 1.489 2.186 0 C-N-CA 119.798 -1.191 . . . . 0.0 110.548 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.97 -58.05 0.13 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.813 -1.404 . . . . 0.0 109.458 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 34.1 m -99.43 37.72 1.53 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.121 -0.987 . . . . 0.0 109.245 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -76.8 119.42 77.37 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 109.879 -179.305 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -80.56 -174.87 2.42 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.971 1.781 . . . . 0.0 111.266 178.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.474 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 42.8 t0 -106.09 128.9 54.19 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.717 0.77 . . . . 0.0 109.01 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.529 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 92.5 mt -88.53 136.35 33.03 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-O 121.43 0.633 . . . . 0.0 110.264 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 62.2 mm-40 . . . . . 0 N--CA 1.496 1.828 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.187 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ATP . . . . . 0.808 ' PG ' ' H ' ' A' ' 99' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.72 152.87 80.7 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.21 -1.171 . . . . 0.0 109.093 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -72.73 101.11 1.26 Allowed 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.29 1.994 . . . . 0.0 111.956 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.493 ' CD ' ' N ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -70.98 -28.29 64.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.251 -0.906 . . . . 0.0 109.543 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.475 ' N ' ' OE2' ' A' ' 20' ' ' GLU . . . 161.15 67.91 0.02 OUTLIER Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -46.11 97.95 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.754 2.303 . . . . 0.0 112.293 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.91 175.56 41.67 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.22 131.77 14.4 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.749 2.3 . . . . 0.0 112.006 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.5 p -65.86 -62.57 1.43 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.256 -0.903 . . . . 0.0 109.481 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.407 ' C ' ' H ' ' A' ' 28' ' ' ALA . . . 160.77 124.3 0.72 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.11 -18.53 6.25 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.407 ' H ' ' C ' ' A' ' 26' ' ' GLY . . . -78.56 -8.52 58.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.284 -1.127 . . . . 0.0 109.497 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.476 ' OE1' ' N ' ' A' ' 30' ' ' GLY . 22.6 tm0? -78.67 -60.22 2.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.266 -0.896 . . . . 0.0 109.367 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.476 ' N ' ' OE1' ' A' ' 29' ' ' GLN . . . -76.4 100.12 1.38 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.19 55.9 4.35 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 33' ' ' ILE . 62.3 m -75.47 128.46 35.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.198 -1.178 . . . . 0.0 109.406 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.542 ' CD1' ' N ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER -46.97 171.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.282 -0.886 . . . . 0.0 109.86 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.531 ' CG ' ' H ' ' A' ' 35' ' ' SER . 56.4 t60 -86.4 178.11 7.23 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.175 -0.953 . . . . 0.0 109.621 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.531 ' H ' ' CG ' ' A' ' 34' ' ' HIS . 21.0 t -49.19 128.35 16.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.247 -0.908 . . . . 0.0 109.508 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.71 78.61 1.76 Allowed Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.432 ' N ' ' CD ' ' A' ' 37' ' ' ARG . 1.1 mpt_? -50.24 170.5 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.251 -1.146 . . . . 0.0 109.271 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.7 mt -143.15 97.7 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.186 -0.946 . . . . 0.0 109.092 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.12 113.81 27.61 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.574 -0.704 . . . . 0.0 109.296 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.42 -175.11 4.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.228 -0.92 . . . . 0.0 109.615 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.413 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 95.1 t -82.55 143.8 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.468 -0.77 . . . . 0.0 109.085 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.413 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 25.3 m-70 -148.35 162.22 39.98 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.29 -0.881 . . . . 0.0 109.729 -179.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 43' ' ' ASN . 8.2 p30 -99.31 94.43 6.45 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.1 p -87.63 127.02 59.89 Favored Pre-proline 0 N--CA 1.497 1.915 0 O-C-N 121.285 -0.884 . . . . 0.0 109.406 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -47.96 140.44 18.61 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 121.761 1.64 . . . . 0.0 113.592 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mt -66.72 -32.36 73.61 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.783 0.801 . . . . 0.0 109.331 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.9 p -61.67 -28.21 69.23 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.824 -0.547 . . . . 0.0 112.214 -177.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.0 m -101.45 25.43 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 O-C-N 120.871 -1.143 . . . . 0.0 111.469 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.45 ' CD1' HH12 ' A' ' 51' ' ' ARG . 72.7 mt -91.76 127.54 37.25 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.663 -1.273 . . . . 0.0 108.71 178.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.7 mt -96.89 118.61 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.365 -0.834 . . . . 0.0 110.503 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.45 HH12 ' CD1' ' A' ' 49' ' ' LEU . 78.1 mtt85 -134.06 94.78 17.73 Favored Pre-proline 0 N--CA 1.495 1.794 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -97.68 28.19 0.18 Allowed 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 123.025 2.483 . . . . 0.0 112.132 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.8 tp -138.9 105.23 7.41 Favored Pre-proline 0 N--CA 1.5 2.047 0 O-C-N 121.291 -0.881 . . . . 0.0 109.899 -178.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -49.36 169.76 0.1 Allowed 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 121.971 1.78 . . . . 0.0 112.309 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.3 m -156.42 163.55 39.32 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.21 -0.931 . . . . 0.0 109.715 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.4 t -106.14 113.44 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.6 mt -97.13 146.05 25.41 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 122.205 1.002 . . . . 0.0 111.068 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -103.01 133.45 20.34 Favored Pre-proline 0 C--N 1.299 -1.6 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 178.588 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -75.62 -17.22 18.4 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 121.942 1.762 . . . . 0.0 113.246 -178.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.539 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -87.03 -44.15 11.79 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.933 -1.104 . . . . 0.0 110.033 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -68.62 -31.74 71.12 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.175 -0.953 . . . . 0.0 109.8 -179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.6 t -68.08 -35.63 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.915 -1.116 . . . . 0.0 108.959 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -65.85 -36.06 82.39 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.7 t -65.98 -37.58 86.33 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.284 -0.885 . . . . 0.0 109.49 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 mt -77.0 -43.69 33.82 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.134 -0.979 . . . . 0.0 108.79 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.15 -33.17 29.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -77.1 -35.71 56.19 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.399 -0.813 . . . . 0.0 109.788 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.4 m -66.44 -51.33 57.98 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.139 -0.975 . . . . 0.0 109.391 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.0 mt -57.57 -40.71 76.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.366 -0.834 . . . . 0.0 109.18 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.443 ' NE ' ' CD2' ' A' ' 108' ' ' LEU . 62.2 mtt180 -76.5 -32.46 58.32 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.286 -0.884 . . . . 0.0 110.211 -179.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -85.36 -36.46 20.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.835 -1.165 . . . . 0.0 109.801 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -159.04 102.49 1.57 Allowed Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.321 -0.862 . . . . 0.0 109.41 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.41 -20.65 31.49 Favored 'Trans proline' 0 N--CA 1.499 1.805 0 C-N-CA 121.439 1.426 . . . . 0.0 113.452 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.407 ' C ' ' H ' ' A' ' 76' ' ' VAL . 79.7 m-20 -83.47 -23.02 32.39 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.774 -1.204 . . . . 0.0 110.346 -179.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.7 m -75.79 14.17 0.7 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.011 -1.056 . . . . 0.0 110.121 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.407 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.1 t -125.18 95.33 41.77 Favored Pre-proline 0 N--CA 1.501 2.078 0 O-C-N 121.452 -0.78 . . . . 0.0 109.215 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.27 156.51 7.83 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 122.641 2.228 . . . . 0.0 112.618 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -74.3 170.97 19.0 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.687 2.258 . . . . 0.0 111.682 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.6 pt -108.97 167.02 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.609 -0.682 . . . . 0.0 109.466 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -91.22 140.09 30.13 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.176 -0.952 . . . . 0.0 108.737 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.7 t -140.04 139.2 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.505 -0.747 . . . . 0.0 109.601 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.3 mt -87.39 124.71 33.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.431 -0.793 . . . . 0.0 109.505 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -103.38 112.13 24.88 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 30.6 mt -128.43 146.32 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.285 -0.884 . . . . 0.0 109.93 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.518 ' HZ3' ' CG ' ' A' ' 91' ' ' ASP . 27.5 mttp -108.0 157.37 18.29 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 121.595 0.712 . . . . 0.0 109.55 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.51 -170.36 31.68 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.25 -7.15 28.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.698 -0.883 . . . . 0.0 110.79 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -129.23 32.3 4.72 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.113 -0.992 . . . . 0.0 110.634 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.85 -13.44 4.22 Favored Glycine 0 N--CA 1.495 2.603 0 O-C-N 121.09 -1.006 . . . . 0.0 111.234 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -47.83 109.51 0.48 Allowed Glycine 0 N--CA 1.487 2.057 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.518 ' CG ' ' HZ3' ' A' ' 85' ' ' LYS . 5.9 m-20 -76.96 133.24 39.26 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.507 -0.996 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 96.7 m-85 -128.71 127.53 42.29 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -102.92 115.51 30.74 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.248 -0.907 . . . . 0.0 110.17 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -103.5 134.0 47.59 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.08 134.01 51.51 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.503 -0.748 . . . . 0.0 109.118 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -132.88 90.42 2.76 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 133.93 -158.9 23.54 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 108.027 -2.029 . . . . 0.0 108.027 -179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 1.016 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 45.71 25.91 1.65 Allowed Glycine 0 N--CA 1.494 2.535 0 O-C-N 121.138 -1.213 . . . . 0.0 110.326 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.559 ' N ' ' PG ' ' A' ' 1' ' ' ATP . 2.8 m -63.5 -56.69 14.11 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.073 -1.251 . . . . 0.0 110.07 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -55.41 -39.83 70.7 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.032 -1.042 . . . . 0.0 109.773 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 40.4 mtm180 -67.68 -31.33 71.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.945 -1.097 . . . . 0.0 109.464 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -65.81 -42.77 90.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.949 -1.094 . . . . 0.0 108.478 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.98 -40.36 84.59 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.307 -0.871 . . . . 0.0 109.669 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.05 87.92 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.161 -0.962 . . . . 0.0 109.559 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -70.01 -41.57 74.15 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.151 -0.968 . . . . 0.0 109.207 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.537 ' OE1' ' N ' ' A' ' 107' ' ' GLN . 3.0 tm0? -68.45 -39.08 81.6 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.23 -0.919 . . . . 0.0 108.819 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.537 ' N ' ' OE1' ' A' ' 106' ' ' GLN . 9.7 tm0? -62.73 -41.62 99.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.601 -0.687 . . . . 0.0 109.365 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.443 ' CD2' ' NE ' ' A' ' 70' ' ' ARG . 96.5 mt -76.65 11.34 1.7 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.255 -0.903 . . . . 0.0 109.629 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.401 ' H ' ' C ' ' A' ' 107' ' ' GLN . 6.2 tt0 46.17 46.65 13.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.336 -0.853 . . . . 0.0 110.314 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -79.96 159.75 26.18 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.988 -1.07 . . . . 0.0 108.527 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -82.02 -43.21 18.27 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.392 -0.818 . . . . 0.0 110.192 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.5 p -134.16 177.72 7.53 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.043 -1.036 . . . . 0.0 110.368 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.6 tt -139.76 141.84 29.19 Favored Pre-proline 0 N--CA 1.503 2.207 0 O-C-N 121.629 -0.67 . . . . 0.0 109.794 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -68.5 135.12 32.68 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 CA-C-N 120.088 1.067 . . . . 0.0 110.499 177.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.03 133.37 11.8 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.241 -0.912 . . . . 0.0 109.53 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.4 tttm -77.0 118.55 19.69 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.316 -0.865 . . . . 0.0 109.064 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 47.7 mt -79.23 137.28 37.34 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.217 -0.927 . . . . 0.0 108.609 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 75.4 t -136.7 103.9 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.434 -0.791 . . . . 0.0 109.463 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.526 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -46.47 130.24 10.96 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.256 -0.902 . . . . 0.0 109.53 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.4 m -136.13 -178.45 5.16 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.43 -0.794 . . . . 0.0 109.15 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.0 p -129.43 164.05 24.5 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.44 -0.788 . . . . 0.0 109.585 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 23.4 tp -57.22 -35.55 69.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.999 -1.063 . . . . 0.0 109.621 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.7 m -54.19 -45.06 72.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.91 -1.119 . . . . 0.0 109.237 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -55.43 -43.59 75.5 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 120.967 -1.083 . . . . 0.0 108.3 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.4 tp -63.29 -32.52 73.96 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.105 -0.997 . . . . 0.0 109.512 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -65.03 -26.8 68.42 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.675 -1.265 . . . . 0.0 109.155 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 57.6 t -67.6 -33.57 62.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.301 0 O-C-N 120.995 -1.066 . . . . 0.0 108.227 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -90.95 -47.17 7.74 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.351 -0.843 . . . . 0.0 110.864 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.554 ' C ' ' H ' ' A' ' 131' ' ' ALA . 59.0 mt -119.27 46.15 1.96 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.449 -0.782 . . . . 0.0 110.446 -177.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.02 38.74 0.11 Allowed Glycine 0 N--CA 1.49 2.263 0 C-N-CA 119.767 -1.206 . . . . 0.0 110.294 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.554 ' H ' ' C ' ' A' ' 129' ' ' LEU . . . -154.2 -54.46 0.1 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.842 -1.387 . . . . 0.0 109.427 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 18.5 m -100.06 35.48 2.05 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.226 -0.921 . . . . 0.0 109.346 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.2 OUTLIER -76.73 118.57 72.63 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.291 -0.88 . . . . 0.0 109.479 -179.545 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -78.88 -174.88 2.46 Favored 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 121.907 1.738 . . . . 0.0 111.63 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.482 ' C ' HE21 ' A' ' 137' ' ' GLN . 45.1 t0 -105.81 119.88 40.3 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.536 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 96.1 mt -82.11 137.79 34.92 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.555 -0.716 . . . . 0.0 110.467 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.536 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 59.8 mm-40 . . . . . 0 N--CA 1.498 1.932 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.363 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ATP . . . . . 1.016 ' O3G' ' N ' ' A' ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.624 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -76.11 -37.13 2.05 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.224 -1.163 . . . . 0.0 110.416 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 18' ' ' ALA . 49.3 Cg_exo -56.14 96.72 0.06 OUTLIER 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.115 1.876 . . . . 0.0 112.161 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -143.29 56.34 1.37 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.219 -0.926 . . . . 0.0 109.177 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.17 178.6 51.17 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.23 34.14 0.4 Allowed 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.806 2.337 . . . . 0.0 111.995 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.97 170.18 28.54 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.436 -1.465 . . . . 0.0 109.436 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.403 ' C ' ' HG ' ' A' ' 25' ' ' SER . 73.0 Cg_endo -75.23 114.07 3.92 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.828 2.352 . . . . 0.0 111.981 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.403 ' HG ' ' C ' ' A' ' 24' ' ' PRO . 49.8 m -166.61 -163.81 0.6 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.252 -0.905 . . . . 0.0 109.501 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.17 49.87 6.1 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.09 88.18 0.09 OUTLIER Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.25 -44.32 53.42 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.251 -1.146 . . . . 0.0 109.423 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -52.34 -75.0 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.245 -0.909 . . . . 0.0 109.408 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -76.28 142.83 28.79 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.07 131.13 1.82 Allowed Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.3 t -56.13 179.99 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.27 -1.135 . . . . 0.0 109.436 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.6 tt -160.76 154.91 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.232 -0.917 . . . . 0.0 109.441 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.412 ' ND1' ' O ' ' A' ' 34' ' ' HIS . 3.4 p80 -49.95 143.57 7.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 109.462 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 t -49.91 163.53 0.14 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.259 -0.901 . . . . 0.0 109.465 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.26 116.78 4.38 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -63.3 105.95 0.82 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.253 -1.145 . . . . 0.0 109.435 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.5 mt -143.28 97.76 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.216 -0.927 . . . . 0.0 109.028 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.65 93.31 6.66 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.506 -0.747 . . . . 0.0 109.392 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -148.3 -174.18 4.52 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.322 -0.861 . . . . 0.0 109.409 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.447 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 88.8 t -74.34 142.81 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.392 -0.818 . . . . 0.0 108.891 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 10.2 m-70 -149.62 147.56 28.27 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.391 -0.818 . . . . 0.0 109.777 -179.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -85.89 94.64 9.22 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.41 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.1 p -87.84 124.44 67.21 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.099 -1.0 . . . . 0.0 109.093 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -48.05 140.3 19.25 Favored 'Trans proline' 0 N--CA 1.499 1.852 0 C-N-CA 121.766 1.644 . . . . 0.0 113.445 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.57 -31.24 71.82 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.38 -0.825 . . . . 0.0 109.314 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 p -62.88 -27.93 69.69 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.825 -0.547 . . . . 0.0 112.259 -177.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 m -102.07 23.5 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.247 0 O-C-N 120.755 -1.216 . . . . 0.0 111.397 -178.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.7 mt -91.38 124.24 35.42 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.699 -1.251 . . . . 0.0 108.839 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.2 mt -91.09 120.49 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.478 -0.764 . . . . 0.0 110.29 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.3 mtt-85 -134.88 93.64 17.37 Favored Pre-proline 0 N--CA 1.497 1.915 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -99.31 28.95 0.13 Allowed 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 123.063 2.509 . . . . 0.0 112.276 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.3 tp -138.4 104.26 7.83 Favored Pre-proline 0 N--CA 1.501 2.102 0 O-C-N 121.26 -0.9 . . . . 0.0 109.769 -178.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.32 169.44 0.15 Allowed 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 121.812 1.674 . . . . 0.0 112.176 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.6 m -158.54 163.16 37.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.953 . . . . 0.0 109.753 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.2 t -105.65 110.45 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.9 mt -92.27 145.87 24.15 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.14 -0.975 . . . . 0.0 110.933 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -101.47 134.34 20.32 Favored Pre-proline 0 C--N 1.298 -1.668 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 178.85 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -75.23 -20.14 16.7 Favored 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 122.071 1.847 . . . . 0.0 113.071 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.541 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.09 -44.96 12.54 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.983 -1.073 . . . . 0.0 110.266 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.698 ' HD3' ' H2 ' ' A' ' 1' ' ' ATP . 0.1 OUTLIER -67.85 -31.4 71.21 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.181 -0.95 . . . . 0.0 109.76 -179.126 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.8 t -68.2 -52.73 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 120.839 -1.163 . . . . 0.0 109.074 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -50.26 -39.34 44.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.242 -0.911 . . . . 0.0 109.272 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.649 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 39.7 t -61.79 -38.01 86.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.282 -0.886 . . . . 0.0 109.339 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.8 mt -75.66 -47.9 24.39 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.276 -0.89 . . . . 0.0 108.728 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.6 t -56.18 -32.18 33.82 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -75.99 -35.42 59.6 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.407 -0.808 . . . . 0.0 109.428 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.4 m -67.01 -51.53 53.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.176 -0.952 . . . . 0.0 109.534 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.7 mt -58.05 -40.67 77.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.365 -0.835 . . . . 0.0 109.07 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -73.25 -32.19 64.55 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.305 -0.872 . . . . 0.0 110.56 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -91.43 -38.18 12.73 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.822 -1.174 . . . . 0.0 110.262 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -155.42 98.45 2.33 Favored Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.037 -1.039 . . . . 0.0 109.704 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.48 -3.84 14.45 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.677 1.584 . . . . 0.0 112.998 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -89.57 -27.97 19.88 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.895 -1.128 . . . . 0.0 110.8 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.9 t -84.07 23.1 1.08 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.74 -1.225 . . . . 0.0 109.631 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 t -120.68 108.72 36.91 Favored Pre-proline 0 N--CA 1.5 2.056 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -76.14 162.32 34.35 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.694 1.596 . . . . 0.0 113.092 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.23 172.88 15.5 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 122.866 2.377 . . . . 0.0 112.087 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.0 pt -111.94 165.39 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.688 -0.633 . . . . 0.0 109.335 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -89.69 137.47 32.3 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.196 -0.94 . . . . 0.0 108.864 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.4 t -138.66 138.4 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.674 -0.641 . . . . 0.0 109.303 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.2 mt -88.63 130.0 35.38 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.418 -0.801 . . . . 0.0 109.627 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -107.03 112.73 25.81 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.1 mt -128.36 141.4 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.28 -0.887 . . . . 0.0 109.91 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.529 ' HZ3' ' CG ' ' A' ' 91' ' ' ASP . 1.0 OUTLIER -101.36 156.17 17.61 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.615 -0.678 . . . . 0.0 109.255 -179.479 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.04 -171.36 31.16 Favored Glycine 0 N--CA 1.497 2.719 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.29 -12.84 61.69 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.719 -0.871 . . . . 0.0 111.002 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -120.22 22.85 11.22 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.085 -1.01 . . . . 0.0 110.189 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 81.09 -10.97 45.32 Favored Glycine 0 N--CA 1.491 2.362 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.076 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.51 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -51.01 113.62 2.3 Favored Glycine 0 N--CA 1.486 2.014 0 O-C-N 120.966 -1.314 . . . . 0.0 109.861 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.529 ' CG ' ' HZ3' ' A' ' 85' ' ' LYS . 20.3 m-20 -77.79 134.18 38.07 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.44 -1.035 . . . . 0.0 109.234 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.51 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.1 m-85 -128.78 128.98 45.04 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -106.07 122.13 45.55 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.212 -0.93 . . . . 0.0 110.234 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -106.83 136.37 46.79 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.599 -0.688 . . . . 0.0 109.181 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.1 123.42 41.52 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -129.32 88.24 2.67 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 136.43 -166.99 24.63 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 108.703 -1.759 . . . . 0.0 108.703 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.417 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 46.3 14.78 0.11 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' A' ' 97' ' ' GLY . 7.3 m -49.56 -49.55 45.85 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.059 -1.259 . . . . 0.0 109.486 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.638 ' ND1' ' O1G' ' A' ' 1' ' ' ATP . 34.2 m80 -59.99 -41.8 92.86 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.165 -0.96 . . . . 0.0 109.323 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.449 ' NH2' ' O1A' ' A' ' 1' ' ' ATP . 40.9 mtm180 -66.29 -31.1 71.69 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.053 -1.029 . . . . 0.0 109.291 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.421 ' OH ' ' OE1' ' A' ' 106' ' ' GLN . 17.1 t80 -66.26 -42.71 88.15 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.986 -1.071 . . . . 0.0 108.504 179.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.93 99.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.34 -0.85 . . . . 0.0 109.537 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.98 92.4 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.233 -0.917 . . . . 0.0 109.415 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -68.34 -42.25 79.56 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.198 -0.939 . . . . 0.0 108.85 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.421 ' OE1' ' OH ' ' A' ' 102' ' ' TYR . 12.2 tt0 -62.63 -42.61 99.69 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.212 -0.93 . . . . 0.0 109.513 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -62.3 -36.29 81.68 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.312 -0.867 . . . . 0.0 109.573 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 110' ' ' ARG . 97.1 mt -80.51 16.99 1.18 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.277 -0.89 . . . . 0.0 109.488 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 41.77 26.2 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.604 -0.685 . . . . 0.0 110.864 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 108' ' ' LEU . 16.3 mmt180 -58.14 156.93 8.85 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 120.961 -1.087 . . . . 0.0 108.637 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -81.87 -41.9 20.35 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.424 -0.797 . . . . 0.0 110.34 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 35.1 p -134.31 177.46 7.74 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.031 -1.043 . . . . 0.0 110.349 -179.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.62 141.33 27.82 Favored Pre-proline 0 N--CA 1.503 2.184 0 O-C-N 121.661 -0.649 . . . . 0.0 109.632 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -66.98 130.92 24.06 Favored 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 120.941 1.094 . . . . 0.0 110.852 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -150.42 132.27 15.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.164 -0.96 . . . . 0.0 109.713 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -76.8 114.78 15.94 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.446 -0.784 . . . . 0.0 109.211 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 48.2 mt -79.31 133.58 36.63 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.962 -1.086 . . . . 0.0 109.079 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 57.9 t -134.53 116.27 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.546 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 4.0 mp0 -54.19 135.95 43.27 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.11 -0.994 . . . . 0.0 109.108 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.3 m -138.36 -179.57 5.87 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.26 -0.9 . . . . 0.0 109.248 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.2 p -127.84 161.82 28.13 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.613 -0.68 . . . . 0.0 109.406 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.8 tp -56.88 -36.84 70.57 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.15 -0.969 . . . . 0.0 109.819 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 35.1 t -54.26 -45.79 72.48 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.825 -1.172 . . . . 0.0 109.417 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.24 -46.92 76.03 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.146 -0.971 . . . . 0.0 108.449 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.8 tp -58.94 -38.47 79.07 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.024 -1.047 . . . . 0.0 108.962 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -56.56 -35.69 68.45 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.158 -0.964 . . . . 0.0 109.219 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 81.4 t -59.22 -33.41 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -90.51 -48.82 6.86 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.309 -0.869 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 131' ' ' ALA . 62.6 mt -116.08 44.25 1.98 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.454 -0.779 . . . . 0.0 110.302 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.65 39.18 0.1 OUTLIER Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.968 -1.111 . . . . 0.0 110.431 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.36 -58.87 0.13 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.853 -1.381 . . . . 0.0 109.618 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 17.8 m -98.65 36.43 1.65 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.998 -1.064 . . . . 0.0 109.248 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.35 119.8 77.7 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.3 -0.875 . . . . 0.0 109.969 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -79.16 -173.47 1.89 Allowed 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.95 1.767 . . . . 0.0 111.44 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.519 ' C ' HE21 ' A' ' 137' ' ' GLN . 44.5 t0 -109.24 121.79 45.92 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.529 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 94.2 mt -80.42 136.59 36.38 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.482 -0.761 . . . . 0.0 110.325 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 61.1 mm-40 . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.222 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ATP . . . . . 0.698 ' H2 ' ' HD3' ' A' ' 61' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.67 171.52 8.0 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.248 -1.148 . . . . 0.0 108.898 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -43.33 98.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.493 2.128 . . . . 0.0 112.329 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -76.53 50.72 0.69 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.266 -0.897 . . . . 0.0 109.504 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.59 -69.87 1.15 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.456 -1.458 . . . . 0.0 109.456 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.25 1.42 7.87 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.821 2.347 . . . . 0.0 111.956 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' A' ' 25' ' ' SER . . . -77.7 -175.91 44.53 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -46.08 -8.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.805 2.337 . . . . 0.0 112.31 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' GLY . 47.9 p -49.98 153.48 1.34 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.288 -0.883 . . . . 0.0 109.453 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.14 35.96 28.94 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -74.08 -27.3 66.64 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.08 -39.35 71.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.228 -1.16 . . . . 0.0 109.494 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.439 ' N ' ' CD ' ' A' ' 29' ' ' GLN . 24.4 mp0 -72.48 128.27 35.1 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.239 -0.913 . . . . 0.0 109.458 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 164.68 52.56 0.02 OUTLIER Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 169.73 -58.26 0.19 Allowed Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.3 m -165.73 169.29 15.29 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.304 -1.115 . . . . 0.0 109.435 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.2 tp -163.89 -36.14 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.26 -0.9 . . . . 0.0 109.187 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.42 ' CD2' ' HG ' ' A' ' 35' ' ' SER . 72.0 t60 -79.26 -80.83 0.12 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.244 -0.91 . . . . 0.0 109.458 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.436 ' C ' ' H ' ' A' ' 37' ' ' ARG . 84.4 p -163.0 -134.58 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.26 -0.9 . . . . 0.0 109.498 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.44 -24.09 3.21 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.436 ' H ' ' C ' ' A' ' 35' ' ' SER . 34.0 ttm180 -70.45 141.82 52.02 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.246 -1.15 . . . . 0.0 109.464 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.7 mt -143.91 97.75 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.267 -0.896 . . . . 0.0 108.994 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.38 107.17 18.7 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.525 -0.734 . . . . 0.0 109.417 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -151.43 -175.25 5.11 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.29 -0.881 . . . . 0.0 109.534 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.425 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 91.6 t -81.97 143.31 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.369 -0.832 . . . . 0.0 109.227 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.425 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 25.3 m-70 -148.85 162.45 39.8 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.374 -0.829 . . . . 0.0 109.579 -179.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 43' ' ' ASN . 8.0 p30 -99.89 94.57 6.37 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.2 p -87.6 126.79 60.72 Favored Pre-proline 0 N--CA 1.498 1.936 0 O-C-N 121.291 -0.881 . . . . 0.0 109.442 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -48.06 140.23 19.42 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 121.807 1.671 . . . . 0.0 113.503 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.45 -31.79 72.75 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.831 0.824 . . . . 0.0 109.425 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.0 p -62.81 -27.8 69.56 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.759 -0.588 . . . . 0.0 112.28 -177.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.8 m -101.97 25.38 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.242 0 O-C-N 120.788 -1.195 . . . . 0.0 111.442 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.2 mt -90.67 128.15 36.54 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.708 -1.245 . . . . 0.0 108.56 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.4 mt -97.79 119.29 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.395 -0.816 . . . . 0.0 110.635 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 76.6 mtt-85 -134.15 94.9 17.34 Favored Pre-proline 0 N--CA 1.494 1.752 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -97.31 27.92 0.19 Allowed 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.959 2.439 . . . . 0.0 112.062 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.9 tp -138.51 105.1 7.69 Favored Pre-proline 0 N--CA 1.499 1.991 0 O-C-N 121.315 -0.866 . . . . 0.0 109.719 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -49.04 169.42 0.1 OUTLIER 'Trans proline' 0 N--CA 1.497 1.715 0 C-N-CA 121.917 1.745 . . . . 0.0 112.309 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.0 m -158.07 162.36 38.06 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.197 -0.939 . . . . 0.0 109.787 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.448 ' O ' ' CG1' ' A' ' 56' ' ' VAL . 2.6 p -106.4 120.28 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.5 mt -104.27 145.86 29.63 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 122.228 1.013 . . . . 0.0 111.009 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -102.47 134.4 19.97 Favored Pre-proline 0 C--N 1.298 -1.634 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.83 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -75.25 -20.25 16.55 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 122.023 1.815 . . . . 0.0 113.164 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.537 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.0 -43.75 13.68 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.021 -1.049 . . . . 0.0 110.235 -179.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -69.44 -31.39 69.69 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.191 -0.943 . . . . 0.0 109.903 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.1 t -67.94 -46.19 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.927 -1.108 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -58.88 -36.46 74.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.092 -1.005 . . . . 0.0 108.651 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.6 t -61.45 -37.72 84.58 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.258 -0.901 . . . . 0.0 109.165 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.1 mt -74.48 -48.03 29.77 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.2 t -54.75 -30.69 22.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -76.14 -35.35 59.28 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.501 -0.749 . . . . 0.0 109.466 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.4 m -67.63 -45.54 75.07 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.229 -0.919 . . . . 0.0 109.319 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.604 ' CG2' HH12 ' A' ' 110' ' ' ARG . 11.1 mt -65.36 -38.75 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.446 -0.784 . . . . 0.0 109.515 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mtp-105 -77.13 -35.23 56.35 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.22 -0.925 . . . . 0.0 110.327 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -90.43 -32.64 16.32 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.896 -1.128 . . . . 0.0 110.552 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.422 ' OD2' ' OD2' ' A' ' 74' ' ' ASP . 24.5 t70 -158.21 96.19 1.89 Allowed Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.014 -1.054 . . . . 0.0 109.937 -179.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -78.26 2.25 8.2 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 121.771 1.647 . . . . 0.0 112.914 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.515 ' C ' ' H ' ' A' ' 76' ' ' VAL . 1.1 p-10 -89.65 -43.23 10.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.988 -1.07 . . . . 0.0 109.938 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.401 ' OG ' ' OD2' ' A' ' 72' ' ' ASP . 6.0 m -71.86 25.58 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.035 -1.041 . . . . 0.0 109.925 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.515 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.2 t -122.23 104.71 37.59 Favored Pre-proline 0 N--CA 1.499 2.013 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -79.84 160.31 24.44 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.873 1.716 . . . . 0.0 112.758 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.24 172.15 15.45 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.842 2.361 . . . . 0.0 112.111 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 pt -110.47 165.04 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.51 134.07 33.67 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.264 -0.897 . . . . 0.0 108.652 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.2 t -138.15 138.93 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.318 -0.864 . . . . 0.0 109.479 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 mt -86.2 137.57 32.54 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.5 -0.75 . . . . 0.0 109.758 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -116.27 102.97 10.03 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.3 mt -119.21 150.58 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.41 -0.806 . . . . 0.0 109.549 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.552 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 34.2 mttp -113.46 156.92 22.66 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-O 121.83 0.824 . . . . 0.0 110.322 -179.245 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.27 -174.81 40.58 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.48 -7.11 23.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.675 -0.897 . . . . 0.0 110.862 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -126.46 24.78 6.65 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.091 -1.005 . . . . 0.0 110.664 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.29 -13.53 39.19 Favored Glycine 0 N--CA 1.495 2.602 0 O-C-N 120.964 -1.085 . . . . 0.0 111.094 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.525 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.58 108.57 0.4 Allowed Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.552 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 19.5 m-20 -77.35 134.67 38.42 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.49 -1.006 . . . . 0.0 109.351 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.525 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.4 m-85 -129.56 127.11 40.04 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -101.78 115.97 31.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.181 -0.949 . . . . 0.0 110.07 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -103.46 134.7 46.38 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.43 134.27 51.03 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.492 -0.755 . . . . 0.0 109.018 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -133.07 90.46 2.75 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 132.49 -159.31 23.36 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 107.979 -2.049 . . . . 0.0 107.979 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.7 26.52 1.85 Allowed Glycine 0 N--CA 1.494 2.552 0 O-C-N 121.158 -1.201 . . . . 0.0 110.206 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.5 m -64.19 -56.99 10.84 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.013 -1.287 . . . . 0.0 110.163 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.694 ' HB2' ' O3G' ' A' ' 1' ' ' ATP . 38.4 m80 -54.84 -37.47 66.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.9 -1.125 . . . . 0.0 109.629 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 1.157 ' NH2' ' O2B' ' A' ' 1' ' ' ATP . 39.2 mtm180 -68.21 -30.76 69.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.049 -1.032 . . . . 0.0 109.622 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -66.67 -43.46 84.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.028 -1.045 . . . . 0.0 108.8 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.8 92.98 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.275 -0.89 . . . . 0.0 109.811 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.71 -47.48 85.08 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.108 -0.995 . . . . 0.0 109.574 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -66.77 -41.55 87.53 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.135 -0.978 . . . . 0.0 108.887 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.431 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -61.59 -47.94 83.21 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.264 -0.898 . . . . 0.0 109.479 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.505 ' C ' ' H ' ' A' ' 109' ' ' GLN . 55.4 tt0 -59.38 -41.61 89.74 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.263 -0.898 . . . . 0.0 109.786 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.2 10.98 0.36 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.246 -0.909 . . . . 0.0 109.541 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.505 ' H ' ' C ' ' A' ' 107' ' ' GLN . 45.3 mm-40 45.97 30.01 0.84 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.333 -0.854 . . . . 0.0 110.232 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.604 HH12 ' CG2' ' A' ' 69' ' ' ILE . 19.8 mmt85 -65.43 155.07 36.63 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.933 -1.104 . . . . 0.0 108.55 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -81.1 -42.2 21.34 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.381 -0.825 . . . . 0.0 110.478 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.7 p -133.44 177.68 7.5 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.026 -1.047 . . . . 0.0 110.29 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.78 141.6 28.25 Favored Pre-proline 0 N--CA 1.502 2.144 0 O-C-N 121.674 -0.641 . . . . 0.0 109.715 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -67.88 135.85 36.58 Favored 'Trans proline' 0 N--CA 1.491 1.362 0 CA-C-N 120.106 1.074 . . . . 0.0 110.519 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.6 133.42 12.22 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.278 -0.889 . . . . 0.0 109.553 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -76.67 110.29 11.12 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.389 -0.819 . . . . 0.0 109.067 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 60.8 mt -71.96 137.74 47.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.917 -1.115 . . . . 0.0 108.573 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 61.5 t -136.02 104.25 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.494 -0.754 . . . . 0.0 109.451 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.523 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -46.1 133.11 9.3 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.279 -0.888 . . . . 0.0 109.601 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.1 m -138.34 178.31 7.23 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.364 -0.835 . . . . 0.0 109.226 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.434 ' N ' ' OD2' ' A' ' 124' ' ' ASP . 7.0 p -126.91 160.46 30.95 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.6 tp -53.32 -40.5 64.87 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.044 -1.035 . . . . 0.0 109.399 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 11.7 t -53.26 -40.56 64.74 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.961 -1.087 . . . . 0.0 108.613 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 124' ' ' ASP . 1.8 m-20 -56.02 -39.48 72.0 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.169 -0.957 . . . . 0.0 108.732 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.1 tp -69.41 -35.22 75.52 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.18 -0.95 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 130' ' ' GLY . 19.3 ttp180 -59.09 -38.42 79.47 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.974 -1.079 . . . . 0.0 108.451 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.43 -37.13 43.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 121.206 -0.934 . . . . 0.0 108.611 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -89.54 -47.65 7.83 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.158 -0.964 . . . . 0.0 110.942 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 131' ' ' ALA . 70.0 mt -117.31 45.87 1.81 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.438 -0.789 . . . . 0.0 110.344 -178.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -64.57 39.51 0.1 OUTLIER Glycine 0 N--CA 1.49 2.26 0 C-N-CA 119.792 -1.194 . . . . 0.0 110.448 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.91 -57.17 0.12 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.797 -1.413 . . . . 0.0 109.616 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 31.8 m -99.15 37.28 1.57 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.103 -0.998 . . . . 0.0 109.374 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -77.56 118.11 69.94 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.287 -0.883 . . . . 0.0 109.824 -179.387 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -79.8 -174.3 2.21 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.939 1.76 . . . . 0.0 111.303 178.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.47 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 46.4 t0 -104.88 127.91 52.89 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.791 0.805 . . . . 0.0 109.129 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.525 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 96.7 mt -91.06 138.54 31.53 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 121.535 0.684 . . . . 0.0 110.371 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 58.7 mm-40 . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.011 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ATP . . . . . 1.157 ' O2B' ' NH2' ' A' ' 101' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.16 67.61 2.38 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.259 -1.142 . . . . 0.0 109.452 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -46.11 115.24 1.04 Allowed 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.843 2.362 . . . . 0.0 112.267 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -77.58 55.56 1.33 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.203 -0.936 . . . . 0.0 109.443 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.75 -178.45 53.28 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -46.12 -41.6 21.44 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.81 2.34 . . . . 0.0 112.285 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.95 60.53 2.55 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.71 -93.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.735 2.29 . . . . 0.0 112.007 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.2 p -79.25 -62.21 1.77 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.225 -0.922 . . . . 0.0 109.488 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.41 ' C ' ' H ' ' A' ' 28' ' ' ALA . . . 79.05 178.13 50.54 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.93 -38.46 1.97 Allowed Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' H ' ' C ' ' A' ' 26' ' ' GLY . . . -57.13 -54.14 50.08 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.238 -1.154 . . . . 0.0 109.488 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -70.32 130.19 41.33 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.231 -0.918 . . . . 0.0 109.498 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 56.27 -124.85 35.94 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 162.03 57.11 0.02 OUTLIER Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.7 p -51.98 160.52 0.71 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.249 -1.148 . . . . 0.0 109.477 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.517 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 16.9 tt -167.21 161.31 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.219 -0.925 . . . . 0.0 109.503 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 33' ' ' ILE . 85.7 m-70 -159.3 156.99 29.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.327 -0.858 . . . . 0.0 109.476 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.9 t -80.37 -151.2 0.07 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.269 -0.894 . . . . 0.0 109.586 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 161.01 -48.63 0.37 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.4 mmm-85 -67.58 108.29 2.82 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.296 -1.12 . . . . 0.0 109.387 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.4 mt -143.35 97.56 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.158 -0.964 . . . . 0.0 109.113 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.27 102.68 14.51 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.474 -0.767 . . . . 0.0 109.26 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.38 -174.82 5.02 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.283 -0.886 . . . . 0.0 109.728 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.487 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 99.5 t -75.27 143.93 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.44 -0.788 . . . . 0.0 109.05 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.487 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 12.8 m-70 -150.71 162.91 39.79 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.363 -0.835 . . . . 0.0 109.564 -179.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -101.88 94.43 5.8 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.407 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.3 p -87.29 124.87 67.53 Favored Pre-proline 0 N--CA 1.497 1.913 0 O-C-N 121.2 -0.938 . . . . 0.0 109.476 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -47.75 140.07 17.98 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 121.805 1.67 . . . . 0.0 113.397 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mt -66.75 -31.47 72.14 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 121.774 0.797 . . . . 0.0 109.31 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p -62.85 -27.34 69.27 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.794 -0.566 . . . . 0.0 112.155 -177.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.5 m -103.12 24.92 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.244 0 O-C-N 120.812 -1.18 . . . . 0.0 111.339 -178.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.8 mt -90.01 134.76 34.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.631 -1.293 . . . . 0.0 108.572 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.7 mt -102.47 115.16 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.547 -0.721 . . . . 0.0 109.727 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.5 mtt-85 -133.65 94.56 18.98 Favored Pre-proline 0 N--CA 1.496 1.873 0 O-C-N 121.628 -0.67 . . . . 0.0 109.638 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -98.94 29.95 0.13 Allowed 'Trans proline' 0 C--N 1.312 -1.364 0 C-N-CA 123.152 2.568 . . . . 0.0 111.858 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.5 tt -141.18 87.74 10.52 Favored Pre-proline 0 N--CA 1.496 1.839 0 O-C-N 121.234 -0.916 . . . . 0.0 109.941 -178.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.29 169.49 0.11 Allowed 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.4 2.067 . . . . 0.0 111.875 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -159.24 165.35 33.75 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.118 -0.988 . . . . 0.0 109.995 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 56' ' ' VAL . 2.8 p -95.32 116.47 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 179.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 75.5 mt -98.77 146.22 26.13 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 122.146 0.974 . . . . 0.0 110.907 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -100.85 133.98 20.77 Favored Pre-proline 0 C--N 1.299 -1.597 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.216 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.552 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 77.3 Cg_endo -75.49 -21.51 14.9 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 121.941 1.761 . . . . 0.0 113.113 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.53 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -82.57 -40.1 21.36 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.744 -1.222 . . . . 0.0 109.964 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -73.67 -30.78 63.1 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.231 -0.918 . . . . 0.0 109.921 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 75.7 t -71.92 -52.42 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.837 -1.164 . . . . 0.0 108.537 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.552 ' NE2' ' O ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -50.07 -39.8 43.42 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.602 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 57.5 m -62.6 -41.04 98.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.32 -0.862 . . . . 0.0 109.274 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.1 mt -71.03 -41.96 70.16 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.21 -0.931 . . . . 0.0 108.681 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.4 t -55.67 -36.53 42.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -76.46 -32.22 58.28 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.487 -0.758 . . . . 0.0 109.823 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.3 m -67.27 -51.82 48.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.144 -0.972 . . . . 0.0 109.593 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.1 mt -58.44 -41.12 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.388 -0.82 . . . . 0.0 109.164 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -77.15 -32.83 56.57 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.26 -0.9 . . . . 0.0 110.277 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -85.46 -36.03 20.86 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.842 -1.161 . . . . 0.0 109.958 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -153.67 93.76 3.01 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.308 -0.87 . . . . 0.0 109.44 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.55 -21.26 40.11 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.389 1.393 . . . . 0.0 112.85 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -84.69 -24.99 28.72 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.896 -1.127 . . . . 0.0 110.365 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.3 t -79.08 18.08 0.69 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.941 -1.1 . . . . 0.0 109.514 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 t -124.35 112.42 27.96 Favored Pre-proline 0 N--CA 1.5 2.026 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -76.6 162.19 33.27 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 121.651 1.567 . . . . 0.0 113.016 -178.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -77.19 170.77 18.99 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.847 2.365 . . . . 0.0 112.116 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.3 pt -110.0 167.72 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.693 -0.629 . . . . 0.0 109.307 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.72 139.93 30.2 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.155 -0.965 . . . . 0.0 108.806 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.3 t -139.52 139.16 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.485 -0.76 . . . . 0.0 109.357 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.6 mt -87.18 124.46 33.31 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.357 -0.84 . . . . 0.0 109.718 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -102.27 111.37 23.63 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.0 mt -127.41 138.57 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.274 -0.891 . . . . 0.0 109.979 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.56 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 2.6 tttp -100.51 156.16 17.44 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.662 -0.649 . . . . 0.0 109.384 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.02 -169.9 32.26 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.56 -7.16 36.08 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.676 -0.897 . . . . 0.0 110.696 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.436 ' C ' ' H ' ' A' ' 90' ' ' GLY . 38.8 mt-30 -129.84 39.8 3.65 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.098 -1.001 . . . . 0.0 110.763 -179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.63 -13.21 0.87 Allowed Glycine 0 N--CA 1.493 2.497 0 O-C-N 121.176 -0.953 . . . . 0.0 111.575 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.439 ' O ' ' CE1' ' A' ' 92' ' ' TYR . . . -51.75 112.25 1.8 Allowed Glycine 0 N--CA 1.485 1.955 0 O-C-N 120.781 -1.423 . . . . 0.0 109.86 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.56 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 18.7 m-20 -80.02 133.96 36.19 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.502 -0.999 . . . . 0.0 109.318 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.439 ' CE1' ' O ' ' A' ' 90' ' ' GLY . 97.0 m-85 -126.51 123.14 37.11 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -100.16 121.7 41.84 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.188 -0.945 . . . . 0.0 110.367 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -110.24 130.64 55.51 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.49 127.35 50.96 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -128.99 87.73 2.61 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 178.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 137.98 -165.71 25.32 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 108.771 -1.732 . . . . 0.0 108.771 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.634 ' N ' ' O1G' ' A' ' 1' ' ' ATP . . . 46.28 14.76 0.11 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 97' ' ' GLY . 4.7 m -49.74 -52.08 34.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.048 -1.266 . . . . 0.0 109.683 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -57.59 -37.58 73.43 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.065 -1.022 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.807 ' NH2' ' O1A' ' A' ' 1' ' ' ATP . 41.5 mtm180 -69.18 -30.92 69.23 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.077 -1.014 . . . . 0.0 109.534 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -65.05 -42.76 93.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.028 -1.045 . . . . 0.0 108.563 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.24 95.36 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.356 -0.84 . . . . 0.0 109.534 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.65 -46.27 90.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.227 -0.921 . . . . 0.0 109.498 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -68.17 -42.72 79.61 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.277 -0.89 . . . . 0.0 108.979 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.429 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -61.02 -52.01 66.79 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.298 -0.876 . . . . 0.0 109.554 -179.757 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.438 ' C ' ' H ' ' A' ' 109' ' ' GLN . 16.8 tm0? -54.8 -39.57 68.59 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.355 -0.84 . . . . 0.0 110.029 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.0 mt -73.1 10.14 1.02 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.153 -0.967 . . . . 0.0 109.687 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.438 ' H ' ' C ' ' A' ' 107' ' ' GLN . 9.0 mt-30 44.89 37.33 2.3 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.299 -0.875 . . . . 0.0 110.387 179.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -72.82 159.25 34.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.123 -0.985 . . . . 0.0 108.829 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -82.14 -42.74 18.67 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.453 -0.779 . . . . 0.0 110.204 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 39.1 p -133.2 177.5 7.62 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.046 -1.034 . . . . 0.0 110.48 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.6 tt -138.17 141.25 31.37 Favored Pre-proline 0 N--CA 1.502 2.158 0 O-C-N 121.656 -0.652 . . . . 0.0 110.076 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -68.24 132.58 26.25 Favored 'Trans proline' 0 N--CA 1.491 1.376 0 CA-C-N 119.935 1.012 . . . . 0.0 110.731 177.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.04 133.8 12.98 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.197 -0.939 . . . . 0.0 109.495 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.401 ' CB ' ' HZ1' ' A' ' 116' ' ' LYS . 0.8 OUTLIER -77.41 111.55 13.22 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.394 -0.817 . . . . 0.0 109.025 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 57.7 mt -73.03 137.29 45.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.978 -1.076 . . . . 0.0 108.456 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 77.1 t -137.41 104.73 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.427 -0.795 . . . . 0.0 109.532 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.523 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.5 mp0 -46.1 134.06 8.62 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.218 -0.926 . . . . 0.0 109.604 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.5 m -140.01 -179.05 5.74 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.376 -0.828 . . . . 0.0 109.33 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.3 p -128.16 160.52 31.8 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.568 -0.708 . . . . 0.0 109.514 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.6 tp -55.47 -23.11 23.88 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.25 -0.906 . . . . 0.0 109.809 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 35.8 t -64.69 -48.77 73.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.918 -1.114 . . . . 0.0 109.509 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -55.08 -42.37 72.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.078 -1.014 . . . . 0.0 108.784 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.3 tp -62.18 -38.28 88.45 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 120.945 -1.097 . . . . 0.0 108.935 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -56.57 -37.34 70.44 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.183 -0.948 . . . . 0.0 109.057 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 86.4 t -58.39 -33.82 48.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.18 -0.95 . . . . 0.0 108.477 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -90.38 -48.73 6.94 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.245 -0.91 . . . . 0.0 110.994 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 131' ' ' ALA . 67.0 mt -116.08 43.32 2.17 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.466 -0.771 . . . . 0.0 110.485 -177.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.69 38.48 0.1 Allowed Glycine 0 N--CA 1.487 2.061 0 C-N-CA 119.971 -1.109 . . . . 0.0 110.433 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.41 -59.41 0.15 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.827 -1.396 . . . . 0.0 109.445 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 21.8 t -97.99 38.0 1.36 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.019 -1.05 . . . . 0.0 109.136 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -75.5 119.53 77.49 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.361 -0.837 . . . . 0.0 109.933 -179.247 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -80.97 -174.25 2.16 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.054 1.836 . . . . 0.0 111.428 178.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.468 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 45.0 t0 -107.06 130.31 54.68 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 121.74 0.781 . . . . 0.0 108.96 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.529 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 94.1 mt -90.11 136.45 33.04 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-O 121.455 0.645 . . . . 0.0 110.378 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 59.4 mm-40 . . . . . 0 N--CA 1.497 1.913 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.275 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ATP . . . . . 0.807 ' O1A' ' NH2' ' A' ' 101' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.8 153.2 23.36 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.236 -1.155 . . . . 0.0 109.089 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -36.93 136.86 0.28 Allowed 'Trans proline' 0 C--N 1.314 -1.266 0 C-N-CA 122.428 2.086 . . . . 0.0 112.401 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -67.55 143.02 56.33 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.26 -0.9 . . . . 0.0 109.487 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 159.93 -68.4 0.26 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.25 29.94 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.834 2.356 . . . . 0.0 111.991 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.32 60.42 0.27 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.72 148.64 32.83 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.701 2.267 . . . . 0.0 111.998 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.519 ' O ' ' N ' ' A' ' 27' ' ' GLY . 30.8 p -50.08 -68.14 0.2 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.261 -0.899 . . . . 0.0 109.458 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.36 88.72 0.01 OUTLIER Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 25' ' ' SER . . . 175.16 71.55 0.05 OUTLIER Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.92 -4.02 32.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.275 -1.133 . . . . 0.0 109.498 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.501 ' OE1' ' N ' ' A' ' 29' ' ' GLN . 22.3 mp0 -75.65 -42.88 50.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.258 -0.901 . . . . 0.0 109.522 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -160.9 -169.93 24.82 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.481 -1.447 . . . . 0.0 109.481 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.497 ' C ' ' HG ' ' A' ' 32' ' ' SER . . . -166.3 38.95 0.26 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.497 ' HG ' ' C ' ' A' ' 31' ' ' GLY . 58.5 m -168.98 140.92 2.57 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.265 -1.138 . . . . 0.0 109.508 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 mm -128.55 128.32 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 121.505 -0.747 . . . . 0.0 109.162 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -169.93 -23.49 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.296 -0.878 . . . . 0.0 109.442 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.416 ' C ' ' H ' ' A' ' 37' ' ' ARG . 12.7 t -170.02 45.73 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.283 -0.886 . . . . 0.0 109.406 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -77.53 38.3 1.65 Allowed Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.416 ' H ' ' C ' ' A' ' 35' ' ' SER . 49.7 ttp180 -50.04 160.51 0.34 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.234 -1.157 . . . . 0.0 109.376 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.1 mt -143.5 97.71 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.239 -0.913 . . . . 0.0 109.074 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.27 106.07 13.62 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -153.84 -174.31 4.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.269 -0.895 . . . . 0.0 109.766 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.412 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 86.2 t -75.35 142.14 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.454 -0.779 . . . . 0.0 109.016 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.412 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 10.5 m-70 -147.84 147.01 29.34 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.443 -0.786 . . . . 0.0 109.588 -179.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -85.21 95.39 9.15 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.407 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.1 p -89.39 124.48 64.35 Favored Pre-proline 0 N--CA 1.497 1.878 0 O-C-N 121.187 -0.946 . . . . 0.0 109.101 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -47.77 140.42 17.63 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 121.955 1.77 . . . . 0.0 113.7 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.5 -28.5 67.89 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.333 -0.854 . . . . 0.0 108.915 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.2 t -69.81 -15.2 63.07 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.575 -0.703 . . . . 0.0 112.496 -177.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.9 m -112.54 23.49 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.291 0 O-C-N 120.675 -1.266 . . . . 0.0 110.639 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.0 mt -92.47 123.22 35.62 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.819 -1.176 . . . . 0.0 109.008 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.5 mt -88.56 122.23 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.334 -0.854 . . . . 0.0 109.926 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -134.94 94.53 16.22 Favored Pre-proline 0 N--CA 1.496 1.868 0 O-C-N 121.589 -0.694 . . . . 0.0 109.547 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -98.54 31.33 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 123.142 2.561 . . . . 0.0 112.145 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 mp -141.18 137.69 17.04 Favored Pre-proline 0 N--CA 1.499 2.01 0 O-C-N 121.015 -1.053 . . . . 0.0 108.937 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -75.04 167.51 26.86 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.255 1.97 . . . . 0.0 111.869 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.7 m -154.57 160.43 41.49 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.11 -0.994 . . . . 0.0 109.781 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.447 ' CG1' ' O ' ' A' ' 56' ' ' VAL . 2.5 p -108.65 120.13 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.4 mt -103.79 146.34 28.77 Favored 'General case' 0 N--CA 1.498 1.925 0 CA-C-O 122.014 0.911 . . . . 0.0 110.728 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 3.6 t70 -112.31 139.97 23.14 Favored Pre-proline 0 N--CA 1.491 1.595 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.82 -22.55 17.5 Favored 'Trans proline' 0 N--CA 1.497 1.68 0 C-N-CA 121.998 1.799 . . . . 0.0 112.977 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.455 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -78.88 -39.55 34.75 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.12 -0.987 . . . . 0.0 110.399 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -76.51 -32.22 58.16 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.972 -1.08 . . . . 0.0 109.911 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.5 t -69.75 -37.91 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.92 -1.112 . . . . 0.0 109.348 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -67.08 -38.21 85.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.17 -0.956 . . . . 0.0 108.727 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.807 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 9.1 t -64.0 -37.39 87.24 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.297 -0.877 . . . . 0.0 109.279 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.58 -47.0 20.48 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.263 -0.898 . . . . 0.0 108.835 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.3 t -54.59 -31.82 24.14 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 O-C-N 121.203 -0.936 . . . . 0.0 108.565 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.54 -39.95 51.36 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.39 -0.819 . . . . 0.0 109.781 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.6 m -64.64 -50.94 65.14 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.055 -1.028 . . . . 0.0 109.099 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.621 ' CG2' HH12 ' A' ' 110' ' ' ARG . 21.7 mt -55.85 -41.82 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.237 -0.914 . . . . 0.0 108.886 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.474 ' NE ' ' CD2' ' A' ' 108' ' ' LEU . 73.6 mtt180 -77.8 -23.13 49.19 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.335 -0.853 . . . . 0.0 110.714 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -97.14 -31.74 12.31 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.804 -1.185 . . . . 0.0 110.09 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -164.87 89.56 1.01 Allowed Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.207 -0.933 . . . . 0.0 109.906 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.77 -14.48 45.08 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 121.782 1.654 . . . . 0.0 113.698 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -84.02 -24.73 30.38 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.679 -1.263 . . . . 0.0 110.377 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.5 p -83.15 22.0 1.03 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.957 -1.09 . . . . 0.0 109.972 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 t -122.26 96.5 46.21 Favored Pre-proline 0 N--CA 1.501 2.111 0 O-C-N 121.235 -0.916 . . . . 0.0 109.306 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.56 156.19 6.55 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.478 2.119 . . . . 0.0 112.526 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.5 171.69 17.76 Favored 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 122.629 2.22 . . . . 0.0 111.757 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.7 pt -105.88 166.01 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.561 -0.712 . . . . 0.0 109.447 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -89.46 130.37 35.82 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.264 -0.897 . . . . 0.0 108.764 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.0 t -137.31 140.19 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.291 -0.88 . . . . 0.0 109.632 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.1 mt -91.5 133.18 35.73 Favored 'General case' 0 N--CA 1.5 2.063 0 CA-C-O 121.651 0.739 . . . . 0.0 109.855 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.438 ' NE1' ' OD1' ' A' ' 91' ' ' ASP . 11.4 t90 -108.7 113.32 26.19 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.8 mt -131.89 145.99 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.283 -0.885 . . . . 0.0 109.682 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.543 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 38.3 mttp -109.66 156.59 20.05 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-O 121.86 0.838 . . . . 0.0 110.421 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.3 -174.4 38.9 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.52 -6.94 22.12 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.671 -0.9 . . . . 0.0 110.844 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -126.37 24.94 6.68 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.087 -1.008 . . . . 0.0 110.675 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.47 -14.01 37.59 Favored Glycine 0 N--CA 1.496 2.643 0 C-N-CA 120.072 -1.061 . . . . 0.0 111.123 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.521 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -49.11 108.47 0.43 Allowed Glycine 0 N--CA 1.487 2.07 0 O-C-N 120.827 -1.396 . . . . 0.0 109.63 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.543 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 6.8 m-20 -77.72 136.02 38.12 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.444 -1.033 . . . . 0.0 108.922 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.521 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 98.8 m-85 -129.8 129.09 43.61 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -104.65 119.34 38.76 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.291 -0.881 . . . . 0.0 110.122 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -104.14 131.12 51.76 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.15 120.87 39.02 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -123.3 86.03 2.51 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 137.16 -152.74 21.55 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.09 16.72 0.08 OUTLIER Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 97' ' ' GLY . 7.0 m -50.58 -49.73 55.57 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.168 -1.195 . . . . 0.0 110.027 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -67.51 -55.08 14.94 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.169 -0.957 . . . . 0.0 110.053 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 43.4 mtm180 -53.51 -30.72 42.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.899 -1.126 . . . . 0.0 109.283 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -66.18 -43.79 85.87 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.963 -1.085 . . . . 0.0 108.52 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.11 -45.99 91.13 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.312 -0.868 . . . . 0.0 109.619 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.79 -44.48 86.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.166 -0.959 . . . . 0.0 109.428 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -69.55 -43.17 73.5 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.196 -0.94 . . . . 0.0 108.945 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -60.22 -50.89 71.88 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.245 -0.91 . . . . 0.0 109.471 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.441 ' C ' ' H ' ' A' ' 109' ' ' GLN . 11.0 tm0? -54.07 -42.67 69.56 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.473 -0.767 . . . . 0.0 110.03 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.474 ' CD2' ' NE ' ' A' ' 70' ' ' ARG . 75.8 mt -73.53 11.08 0.87 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.072 -1.018 . . . . 0.0 109.67 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.441 ' H ' ' C ' ' A' ' 107' ' ' GLN . 48.7 mm-40 45.36 28.89 0.51 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.341 -0.849 . . . . 0.0 110.283 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.621 HH12 ' CG2' ' A' ' 69' ' ' ILE . 21.0 mmt85 -63.41 156.11 26.98 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.015 -1.053 . . . . 0.0 108.52 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -80.3 -41.58 24.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.348 -0.845 . . . . 0.0 110.643 -178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 33.9 p -133.17 177.05 7.97 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.997 -1.065 . . . . 0.0 110.763 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.7 tt -139.86 141.56 27.92 Favored Pre-proline 0 N--CA 1.504 2.226 0 O-C-N 121.694 -0.629 . . . . 0.0 109.785 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.47 130.1 21.58 Favored 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 120.941 1.094 . . . . 0.0 110.838 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.42 137.2 25.39 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.22 -0.925 . . . . 0.0 109.738 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -80.46 111.86 17.26 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 42.9 mt -79.07 132.81 36.73 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.851 -1.156 . . . . 0.0 109.128 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 58.1 t -132.88 115.84 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.546 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 4.0 mp0 -54.19 134.71 44.56 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.026 -1.046 . . . . 0.0 109.111 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.1 m -138.15 -179.71 5.94 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.284 -0.885 . . . . 0.0 109.096 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.8 p -128.21 160.75 31.13 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.586 -0.696 . . . . 0.0 109.374 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.0 tp -55.26 -35.64 65.22 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.119 -0.988 . . . . 0.0 109.72 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.2 t -54.85 -46.01 74.62 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.871 -1.143 . . . . 0.0 109.428 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -55.39 -46.88 76.54 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.065 -1.022 . . . . 0.0 108.476 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.4 tp -58.74 -38.32 78.12 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.052 -1.03 . . . . 0.0 108.934 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.8 ttm-85 -57.55 -35.63 70.59 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.185 -0.947 . . . . 0.0 109.33 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 82.3 t -59.2 -33.53 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.067 -1.021 . . . . 0.0 108.325 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -90.69 -48.35 7.11 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.361 -0.837 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 131' ' ' ALA . 42.6 mt -115.73 44.24 1.93 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.383 -0.823 . . . . 0.0 110.216 -178.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.64 38.38 0.1 OUTLIER Glycine 0 N--CA 1.488 2.153 0 C-N-CA 119.959 -1.115 . . . . 0.0 110.35 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.71 -54.9 0.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.81 -1.406 . . . . 0.0 109.4 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.6 t -99.29 37.56 1.54 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.187 -0.945 . . . . 0.0 109.184 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.89 117.79 68.76 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.38 -0.825 . . . . 0.0 110.172 -179.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -81.27 -174.09 2.07 Favored 'Trans proline' 0 N--CA 1.488 1.204 0 C-N-CA 122.03 1.82 . . . . 0.0 111.117 178.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.473 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 43.9 t0 -105.66 128.39 53.62 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.43 -0.794 . . . . 0.0 109.013 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.52 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.9 mt -89.21 137.36 32.39 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 121.475 0.655 . . . . 0.0 110.274 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 58.7 mm-40 . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 117.904 -1.046 . . . . 0.0 109.037 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ATP . . . . . 0.807 ' N6 ' ' OG ' ' A' ' 64' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -167.07 152.85 7.49 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.229 -1.159 . . . . 0.0 109.081 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -72.76 164.97 34.08 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.278 1.985 . . . . 0.0 111.967 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -65.32 138.71 58.36 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.239 -0.913 . . . . 0.0 109.497 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.76 -59.82 0.23 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -45.88 150.39 1.76 Allowed 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.697 2.265 . . . . 0.0 112.249 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.06 60.39 6.87 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.63 163.88 33.18 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.725 2.284 . . . . 0.0 111.987 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 76.4 p -167.23 -152.94 0.14 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.274 -0.891 . . . . 0.0 109.452 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.03 100.36 0.18 Allowed Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.87 165.14 17.05 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.73 -12.18 1.75 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.255 -1.144 . . . . 0.0 109.475 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -60.24 160.94 7.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.204 -0.935 . . . . 0.0 109.433 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.2 157.33 11.62 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 160.99 -123.91 1.26 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.456 -1.458 . . . . 0.0 109.456 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.2 p -64.32 179.97 0.52 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.242 -1.152 . . . . 0.0 109.467 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.6 tt -162.13 -41.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.261 -0.899 . . . . 0.0 109.498 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -73.45 -76.7 0.12 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.894 . . . . 0.0 109.449 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.8 t -162.67 155.48 19.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.222 -0.924 . . . . 0.0 109.479 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.43 -155.32 8.54 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -79.29 108.69 12.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.172 -1.193 . . . . 0.0 109.464 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.9 mt -143.81 97.83 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.157 -0.964 . . . . 0.0 108.902 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.66 90.66 8.46 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.537 -0.727 . . . . 0.0 109.468 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -144.8 -174.36 4.32 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.263 -0.898 . . . . 0.0 109.459 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.497 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 87.4 t -74.87 143.39 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.387 -0.821 . . . . 0.0 109.084 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 12.9 m-70 -151.31 145.79 25.57 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.336 -0.853 . . . . 0.0 109.732 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -83.45 95.46 8.27 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.1 p -88.96 124.94 63.99 Favored Pre-proline 0 N--CA 1.496 1.867 0 O-C-N 121.139 -0.976 . . . . 0.0 108.856 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -47.92 142.48 15.06 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 C-N-CA 121.838 1.692 . . . . 0.0 113.75 -178.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.2 mt -68.83 -32.53 72.29 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.245 -0.909 . . . . 0.0 109.097 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.4 p -66.0 -17.67 64.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.784 -0.573 . . . . 0.0 112.253 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.2 m -111.1 26.28 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.217 0 O-C-N 120.805 -1.184 . . . . 0.0 110.687 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.484 ' CD1' HH12 ' A' ' 51' ' ' ARG . 68.5 mt -95.27 127.81 41.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.959 -1.088 . . . . 0.0 108.806 178.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.0 mt -95.8 119.72 44.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.323 -0.861 . . . . 0.0 110.392 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.484 HH12 ' CD1' ' A' ' 49' ' ' LEU . 76.6 mtt85 -134.62 95.28 16.06 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.795 -0.565 . . . . 0.0 109.739 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -97.2 28.11 0.19 Allowed 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.965 2.443 . . . . 0.0 111.385 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tt -141.69 97.85 6.53 Favored Pre-proline 0 N--CA 1.495 1.782 0 O-C-N 121.402 -0.811 . . . . 0.0 109.35 -178.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.52 163.43 36.08 Favored 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 121.405 1.403 . . . . 0.0 111.641 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 m -151.38 167.49 27.77 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.111 -0.993 . . . . 0.0 110.001 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 56' ' ' VAL . 3.5 p -89.42 110.18 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.8 mt -87.34 146.63 25.83 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.998 -1.064 . . . . 0.0 110.653 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -95.6 132.64 27.05 Favored Pre-proline 0 C--N 1.296 -1.724 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.086 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -75.16 -19.98 16.99 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 121.97 1.78 . . . . 0.0 112.983 -178.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.541 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -84.16 -45.27 13.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.072 -1.017 . . . . 0.0 110.043 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -66.78 -31.87 72.78 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.203 -0.936 . . . . 0.0 109.81 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.15 -36.03 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.858 -1.151 . . . . 0.0 108.545 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -62.87 -45.19 93.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.373 -0.829 . . . . 0.0 109.13 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 1.342 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 9.2 t -56.36 -39.44 72.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.332 -0.855 . . . . 0.0 109.303 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.8 mt -72.93 -50.43 23.61 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.232 -0.917 . . . . 0.0 108.561 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.0 t -55.98 -32.28 32.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -76.18 -38.61 56.38 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.449 -0.782 . . . . 0.0 110.003 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.948 ' OG1' ' N7 ' ' A' ' 1' ' ' ATP . 7.2 m -64.99 -51.75 59.95 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.046 -1.034 . . . . 0.0 109.427 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.618 ' CG2' HH12 ' A' ' 110' ' ' ARG . 13.8 mt -56.5 -41.37 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.293 -0.879 . . . . 0.0 108.771 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.406 ' NE ' ' CD2' ' A' ' 108' ' ' LEU . 70.0 mtt180 -77.4 -27.09 52.28 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.293 -0.879 . . . . 0.0 110.372 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -89.81 -37.09 14.73 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.745 -1.222 . . . . 0.0 109.532 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -161.39 99.83 1.24 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.237 -0.914 . . . . 0.0 109.327 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.85 -4.96 16.19 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.522 1.481 . . . . 0.0 113.166 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -89.01 -26.1 21.64 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.868 -1.145 . . . . 0.0 110.82 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.6 t -88.52 25.33 1.72 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.792 -1.193 . . . . 0.0 109.575 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.9 t -118.31 110.74 39.01 Favored Pre-proline 0 N--CA 1.499 2.003 0 O-C-N 121.333 -0.854 . . . . 0.0 108.742 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.71 162.17 30.13 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 121.671 1.581 . . . . 0.0 112.945 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -79.14 172.56 14.61 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 122.873 2.382 . . . . 0.0 112.198 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.3 pt -111.44 165.39 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 80' ' ' ASP . 1.1 p-10 -87.26 136.26 33.0 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.247 -0.908 . . . . 0.0 109.166 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.1 t -138.31 141.92 36.6 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.287 -0.883 . . . . 0.0 109.492 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.0 mt -90.27 131.75 35.91 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.388 -0.82 . . . . 0.0 109.868 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -107.59 112.78 25.68 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.3 mt -130.43 144.03 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.211 -0.931 . . . . 0.0 109.615 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.55 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 37.1 mttp -109.71 156.38 20.34 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 121.781 0.8 . . . . 0.0 110.257 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.1 -174.57 39.24 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.39 -7.29 23.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.737 -0.861 . . . . 0.0 110.835 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -125.87 24.67 7.01 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.08 -1.012 . . . . 0.0 110.699 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.12 -13.55 38.01 Favored Glycine 0 N--CA 1.496 2.65 0 O-C-N 121.011 -1.055 . . . . 0.0 111.16 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.53 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.85 109.09 0.49 Allowed Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.55 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 14.2 m-20 -77.67 135.33 38.07 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.449 -1.03 . . . . 0.0 109.175 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.53 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.0 m-85 -129.97 122.76 29.12 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -98.98 118.02 34.81 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.254 -0.903 . . . . 0.0 110.09 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -106.6 134.35 49.88 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.46 134.75 52.97 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.477 -0.764 . . . . 0.0 109.215 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -135.08 91.0 2.69 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 131.95 -167.04 22.96 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 108.523 -1.831 . . . . 0.0 108.523 -179.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 1.119 ' N ' ' O1G' ' A' ' 1' ' ' ATP . . . 46.3 15.1 0.12 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 97' ' ' GLY . 7.1 m -49.44 -52.54 28.23 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.096 -1.237 . . . . 0.0 109.445 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.525 ' N ' ' O2G' ' A' ' 1' ' ' ATP . 34.7 m80 -55.01 -30.63 59.92 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.219 -0.925 . . . . 0.0 109.054 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -29.04 66.38 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 109.561 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.32 -45.49 62.88 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.134 -0.979 . . . . 0.0 109.454 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.06 -41.31 83.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.14 -0.975 . . . . 0.0 109.822 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.07 -48.94 76.49 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.138 -0.976 . . . . 0.0 109.675 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -66.12 -41.56 90.38 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.214 -0.929 . . . . 0.0 108.835 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.428 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -62.1 -46.58 88.42 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.31 -0.868 . . . . 0.0 109.341 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -57.96 -40.85 81.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.295 -0.878 . . . . 0.0 109.971 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.406 ' CD2' ' NE ' ' A' ' 70' ' ' ARG . 98.6 mt -74.58 6.74 3.52 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.16 -0.962 . . . . 0.0 109.503 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 47.12 45.65 16.07 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.345 -0.847 . . . . 0.0 110.151 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.618 HH12 ' CG2' ' A' ' 69' ' ' ILE . 21.0 mmt85 -80.71 160.7 24.88 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.985 -1.072 . . . . 0.0 108.583 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.412 ' N ' ' OE1' ' A' ' 111' ' ' GLU . 21.7 mp0 -81.66 -41.51 21.29 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.313 -0.867 . . . . 0.0 110.407 -179.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 35.8 p -135.0 177.22 7.97 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.031 -1.043 . . . . 0.0 110.463 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.4 tt -139.41 141.16 27.9 Favored Pre-proline 0 N--CA 1.504 2.233 0 O-C-N 121.739 -0.601 . . . . 0.0 109.833 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.3 130.2 22.03 Favored 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 120.902 1.068 . . . . 0.0 110.792 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -149.46 133.85 17.47 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.192 -0.943 . . . . 0.0 109.292 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -79.5 117.59 20.59 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.301 -0.874 . . . . 0.0 109.001 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 49.4 mt -77.89 136.13 38.0 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.23 -0.919 . . . . 0.0 108.561 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.2 t -133.29 108.72 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.536 -0.727 . . . . 0.0 109.203 -179.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.576 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 14.8 mp0 -46.15 134.01 8.78 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.287 -0.883 . . . . 0.0 109.106 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.8 m -141.7 179.52 6.79 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.166 -0.959 . . . . 0.0 109.309 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.0 p -131.83 160.9 34.29 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.532 -0.73 . . . . 0.0 109.385 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.3 tp -54.54 -25.45 25.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.181 -0.949 . . . . 0.0 109.684 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 57.7 m -62.97 -48.22 79.8 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.95 -1.094 . . . . 0.0 109.535 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -55.17 -41.65 72.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.157 -0.964 . . . . 0.0 108.82 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.5 tp -61.82 -38.29 87.62 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.085 -1.01 . . . . 0.0 109.134 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.1 ttm105 -57.86 -37.07 73.26 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.07 -1.019 . . . . 0.0 109.175 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.6 t -57.65 -34.91 48.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.148 -0.97 . . . . 0.0 108.44 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -90.49 -48.32 7.17 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.337 -0.852 . . . . 0.0 110.922 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.551 ' O ' ' N ' ' A' ' 131' ' ' ALA . 75.6 mt -115.12 43.61 1.97 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.435 -0.79 . . . . 0.0 110.302 -178.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.85 38.95 0.1 Allowed Glycine 0 N--CA 1.489 2.214 0 C-N-CA 119.913 -1.137 . . . . 0.0 110.334 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.87 -59.53 0.14 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.781 -1.423 . . . . 0.0 109.564 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.9 t -97.64 37.48 1.38 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.04 -1.038 . . . . 0.0 109.232 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -75.71 117.93 67.2 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.292 -0.88 . . . . 0.0 110.044 -179.306 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -81.48 -174.38 2.16 Favored 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 122.018 1.812 . . . . 0.0 111.375 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.465 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 45.0 t0 -105.67 129.51 53.88 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.733 0.778 . . . . 0.0 109.003 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.529 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 93.8 mt -89.81 137.27 32.48 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.512 0.672 . . . . 0.0 110.399 -179.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 59.1 mm-40 . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 117.891 -1.052 . . . . 0.0 109.036 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ATP . . . . . 1.342 ' N6 ' ' OG ' ' A' ' 64' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -170.02 153.23 4.65 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.252 -1.146 . . . . 0.0 109.138 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -36.66 -53.22 1.14 Allowed 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 122.459 2.106 . . . . 0.0 112.411 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.17 4.85 0.08 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.239 -0.913 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 160.25 169.65 23.82 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.38 -95.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.802 2.334 . . . . 0.0 111.934 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 158.86 -65.89 0.29 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -41.72 139.22 2.24 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.762 2.308 . . . . 0.0 112.359 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.7 t -169.82 12.74 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.255 -0.903 . . . . 0.0 109.474 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.6 -43.62 0.05 OUTLIER Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.24 56.54 2.8 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.25 -46.15 65.01 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.319 -1.106 . . . . 0.0 109.449 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.519 ' NE2' ' O ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -76.06 144.78 40.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.221 -0.924 . . . . 0.0 109.365 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.519 ' O ' ' NE2' ' A' ' 29' ' ' GLN . . . -59.91 -110.98 0.01 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 165.66 -80.54 0.11 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.3 p -79.25 118.25 21.01 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.231 -1.158 . . . . 0.0 109.475 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.8 mm -79.21 160.94 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.312 -0.867 . . . . 0.0 109.426 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -58.42 123.37 15.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.262 -0.899 . . . . 0.0 109.429 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.4 m -79.88 43.67 0.61 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.258 -0.901 . . . . 0.0 109.465 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.09 63.33 0.74 Allowed Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -170.04 158.55 7.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.321 -1.105 . . . . 0.0 109.394 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.1 mt -143.59 98.01 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.267 -0.896 . . . . 0.0 109.045 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.47 113.87 24.27 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.02 -174.13 4.77 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.283 -0.886 . . . . 0.0 109.777 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.458 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 84.2 t -74.96 144.36 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.458 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 10.1 m-70 -149.66 142.39 24.61 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.291 -0.88 . . . . 0.0 109.733 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -82.64 95.32 7.77 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.418 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.3 p -87.81 123.8 68.45 Favored Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 121.169 -0.957 . . . . 0.0 109.256 -179.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -47.46 140.07 16.44 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 121.856 1.704 . . . . 0.0 113.345 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.8 -30.47 70.68 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.443 -0.785 . . . . 0.0 109.321 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p -62.92 -27.35 69.31 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.813 -0.555 . . . . 0.0 112.107 -177.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.3 m -103.57 26.27 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.228 0 O-C-N 120.788 -1.195 . . . . 0.0 111.351 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.0 mt -90.3 138.32 31.63 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.707 -1.246 . . . . 0.0 108.838 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.4 mt -109.5 113.13 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.599 -0.688 . . . . 0.0 109.394 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.9 mtp-105 -134.62 96.63 14.9 Favored Pre-proline 0 N--CA 1.498 1.941 0 O-C-N 121.547 -0.721 . . . . 0.0 109.775 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -96.04 28.06 0.23 Allowed 'Trans proline' 0 C--N 1.314 -1.268 0 C-N-CA 122.911 2.407 . . . . 0.0 111.618 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.9 tt -141.34 93.68 7.87 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.303 -0.873 . . . . 0.0 109.426 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -75.22 164.12 33.56 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 121.66 1.574 . . . . 0.0 111.845 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 m -149.07 168.91 21.89 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.147 -0.971 . . . . 0.0 109.878 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.8 t -87.67 108.89 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.7 mt -88.38 146.77 25.08 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 122.056 0.931 . . . . 0.0 110.759 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.6 OUTLIER -95.38 130.36 32.42 Favored Pre-proline 0 C--N 1.298 -1.646 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.867 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -75.69 -19.1 16.75 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.792 1.661 . . . . 0.0 112.952 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.521 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -83.1 -42.39 17.45 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.052 -1.03 . . . . 0.0 110.091 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -31.76 68.55 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.133 -0.979 . . . . 0.0 109.622 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.4 t -70.97 -50.94 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.021 -1.049 . . . . 0.0 109.034 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.54 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -49.78 -42.27 46.29 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.1 t -60.5 -45.74 92.68 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.326 -0.858 . . . . 0.0 109.412 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.8 mt -63.79 -42.95 97.62 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.19 -0.944 . . . . 0.0 108.734 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.4 t -55.25 -33.29 30.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.534 ' CG ' HE22 ' A' ' 63' ' ' GLN . 0.7 OUTLIER -76.27 -33.91 59.12 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.38 -0.825 . . . . 0.0 109.401 179.504 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.9 m -67.27 -50.97 58.39 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.12 -0.987 . . . . 0.0 109.231 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.8 mt -58.02 -41.33 80.12 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.426 -0.796 . . . . 0.0 109.261 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -77.34 -32.23 55.01 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.244 -0.91 . . . . 0.0 110.319 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -86.4 -34.48 20.16 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.909 -1.119 . . . . 0.0 110.209 -178.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -154.66 85.88 3.62 Favored Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.141 -0.975 . . . . 0.0 109.766 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -62.11 -20.63 70.44 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.728 1.619 . . . . 0.0 113.191 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.411 ' C ' ' H ' ' A' ' 76' ' ' VAL . 8.4 m-20 -85.78 -26.8 25.58 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.774 -1.204 . . . . 0.0 110.528 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.2 m -77.81 16.91 0.62 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.871 -1.143 . . . . 0.0 109.636 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.411 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.3 t -119.52 113.42 34.98 Favored Pre-proline 0 N--CA 1.5 2.045 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -76.46 162.21 33.62 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 121.672 1.581 . . . . 0.0 113.097 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -77.65 172.13 16.29 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 122.878 2.385 . . . . 0.0 112.106 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.2 pt -110.0 167.67 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -91.4 135.27 33.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.169 -0.957 . . . . 0.0 109.036 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.9 t -138.06 138.32 43.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.371 -0.831 . . . . 0.0 109.401 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.3 mt -86.29 142.01 28.83 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.422 -0.799 . . . . 0.0 109.94 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.451 ' NE1' ' OD1' ' A' ' 91' ' ' ASP . 11.3 t90 -117.74 113.12 21.37 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.1 mt -131.81 145.11 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.309 -0.87 . . . . 0.0 110.031 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.546 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 38.5 mttp -108.42 156.76 19.08 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.564 0.697 . . . . 0.0 109.567 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.22 -167.18 30.18 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.03 -7.18 33.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.627 -0.925 . . . . 0.0 110.763 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.455 ' C ' ' H ' ' A' ' 90' ' ' GLY . 38.1 mt-30 -130.2 39.46 3.66 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.054 -1.029 . . . . 0.0 110.672 -179.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.57 -11.92 0.54 Allowed Glycine 0 N--CA 1.494 2.537 0 O-C-N 121.217 -0.927 . . . . 0.0 111.639 178.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -49.37 109.42 0.59 Allowed Glycine 0 N--CA 1.485 1.924 0 O-C-N 120.771 -1.429 . . . . 0.0 109.559 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.546 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 7.7 m-20 -78.57 134.36 37.23 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.38 -1.071 . . . . 0.0 108.703 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 95.1 m-85 -128.61 125.21 37.71 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -100.74 121.32 41.47 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.217 -0.927 . . . . 0.0 110.293 -178.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -108.99 136.58 48.28 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.6 130.36 51.51 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 179.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -130.86 89.89 2.82 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 136.59 -156.66 23.24 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 107.887 -2.085 . . . . 0.0 107.887 -179.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.518 ' N ' ' O1G' ' A' ' 1' ' ' ATP . . . 46.34 14.39 0.1 OUTLIER Glycine 0 N--CA 1.493 2.477 0 O-C-N 121.005 -1.291 . . . . 0.0 110.074 179.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 97' ' ' GLY . 4.7 t -50.69 -43.31 57.58 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.142 -1.21 . . . . 0.0 110.055 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.725 ' N ' ' O2G' ' A' ' 1' ' ' ATP . 29.0 m80 -76.03 -53.94 7.6 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.054 -1.029 . . . . 0.0 109.57 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.446 ' NH2' ' O1A' ' A' ' 1' ' ' ATP . 25.0 mtm180 -53.48 -29.79 37.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.918 -1.114 . . . . 0.0 108.801 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -67.2 -42.36 84.26 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.23 91.6 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.308 -0.87 . . . . 0.0 109.699 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.0 93.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.181 -0.949 . . . . 0.0 109.379 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -68.78 -42.41 77.45 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.227 -0.921 . . . . 0.0 108.933 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.441 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -61.74 -45.82 92.28 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.249 -0.907 . . . . 0.0 109.452 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.455 ' C ' ' H ' ' A' ' 109' ' ' GLN . 36.0 tt0 -60.99 -43.29 99.05 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.351 -0.843 . . . . 0.0 110.112 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.4 mt -70.28 6.19 1.43 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.05 -1.031 . . . . 0.0 109.718 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.455 ' H ' ' C ' ' A' ' 107' ' ' GLN . 5.9 tt0 45.09 37.38 2.5 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.378 -0.826 . . . . 0.0 110.286 179.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -70.17 161.37 30.35 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.006 -1.059 . . . . 0.0 108.54 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 111' ' ' GLU . 16.6 mp0 -80.07 -40.01 28.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.394 -0.816 . . . . 0.0 110.775 -178.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 35.7 p -134.38 177.4 7.79 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.066 -1.021 . . . . 0.0 110.656 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -138.61 141.35 30.68 Favored Pre-proline 0 N--CA 1.502 2.136 0 O-C-N 121.71 -0.619 . . . . 0.0 109.76 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -69.1 132.11 23.67 Favored 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 120.968 1.112 . . . . 0.0 110.708 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.29 132.83 12.96 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.194 -0.942 . . . . 0.0 109.662 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -77.64 121.87 24.55 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.388 -0.82 . . . . 0.0 109.186 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 40.3 mt -84.95 134.58 34.24 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.179 -0.951 . . . . 0.0 109.219 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.7 t -134.76 116.01 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.544 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 4.0 mp0 -53.43 139.32 31.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.128 -0.982 . . . . 0.0 109.093 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.6 m -142.5 -179.05 6.06 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.203 -0.936 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.5 p -129.43 160.77 32.09 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.53 -0.731 . . . . 0.0 109.378 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.9 tp -55.13 -34.53 63.81 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.056 -1.028 . . . . 0.0 109.665 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 68.0 m -55.73 -45.59 77.93 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.92 -1.112 . . . . 0.0 109.4 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.38 -46.44 76.52 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.035 -1.041 . . . . 0.0 108.445 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.11 -37.94 81.51 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.06 -1.025 . . . . 0.0 108.918 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 -57.77 -34.68 69.83 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.155 -0.966 . . . . 0.0 109.249 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.24 -34.3 56.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 O-C-N 121.14 -0.975 . . . . 0.0 108.417 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -90.54 -48.48 7.06 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.309 -0.869 . . . . 0.0 111.001 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 131' ' ' ALA . 74.9 mt -114.82 42.95 2.05 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.38 -0.825 . . . . 0.0 110.389 -177.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.66 39.41 0.1 Allowed Glycine 0 N--CA 1.488 2.147 0 C-N-CA 119.932 -1.128 . . . . 0.0 110.405 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.68 -58.41 0.14 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.78 -1.423 . . . . 0.0 109.549 179.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.4 t -99.22 35.85 1.84 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.105 -0.997 . . . . 0.0 109.293 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -73.46 119.45 75.93 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 0.0 109.866 -179.338 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.87 -174.29 2.21 Favored 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.934 1.756 . . . . 0.0 111.514 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.515 ' C ' HE21 ' A' ' 137' ' ' GLN . 43.7 t0 -106.79 119.67 39.95 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.53 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 94.1 mt -80.41 137.72 36.55 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.458 -0.776 . . . . 0.0 110.374 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.53 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 58.9 mm-40 . . . . . 0 N--CA 1.497 1.875 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.327 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ATP . . . . . 0.725 ' O2G' ' N ' ' A' ' 100' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.948 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -151.66 -174.34 4.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.266 -0.896 . . . . 0.0 109.798 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.6 t -75.46 144.06 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -149.03 143.88 26.37 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.092 -1.005 . . . . 0.0 109.968 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -84.08 95.55 8.63 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.2 p -89.29 124.66 64.08 Favored Pre-proline 0 N--CA 1.497 1.891 0 O-C-N 121.196 -0.94 . . . . 0.0 109.268 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.649 ' HA ' HG22 ' A' ' 112' ' ' THR . 89.3 Cg_exo -47.4 139.71 16.6 Favored 'Trans proline' 0 N--CA 1.499 1.812 0 C-N-CA 121.964 1.776 . . . . 0.0 113.802 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.5 mt -67.09 -29.39 69.13 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.421 -0.8 . . . . 0.0 108.913 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t -68.05 -16.98 64.26 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.642 -0.661 . . . . 0.0 112.332 -177.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.6 m -112.19 24.95 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.272 0 O-C-N 120.695 -1.253 . . . . 0.0 110.96 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.9 mt -88.77 138.5 31.36 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.766 -1.209 . . . . 0.0 108.589 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.3 mt -108.48 115.48 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.534 -0.729 . . . . 0.0 109.859 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -132.49 95.75 20.03 Favored Pre-proline 0 N--CA 1.495 1.787 0 O-C-N 121.722 -0.611 . . . . 0.0 109.403 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -97.05 29.12 0.17 Allowed 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.944 2.429 . . . . 0.0 111.946 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tt -141.16 87.83 10.49 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.353 -0.842 . . . . 0.0 109.679 -178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -49.11 169.38 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 122.487 2.124 . . . . 0.0 112.164 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.7 m -158.21 165.35 35.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.166 -0.959 . . . . 0.0 109.88 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.9 t -96.17 110.24 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.5 mt -92.85 146.56 23.54 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 122.116 0.96 . . . . 0.0 110.924 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.1 t70 -103.11 133.42 20.35 Favored Pre-proline 0 C--N 1.299 -1.601 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 178.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.447 ' O ' ' OE1' ' A' ' 63' ' ' GLN . 94.9 Cg_endo -74.98 -19.64 17.69 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 121.937 1.758 . . . . 0.0 112.697 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.523 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.74 -35.45 20.78 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.991 -1.068 . . . . 0.0 109.155 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.431 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 27.9 tttt -73.28 -29.88 63.03 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.499 -0.751 . . . . 0.0 110.195 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.6 t -73.11 -34.92 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.627 ' N ' ' OE1' ' A' ' 63' ' ' GLN . 1.3 mp0 -62.74 -40.24 96.62 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.4 t -62.74 -40.81 98.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.284 -0.885 . . . . 0.0 109.363 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.6 mt -72.9 -45.36 58.63 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.227 -0.92 . . . . 0.0 108.866 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.0 t -55.78 -29.81 26.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.324 -0.86 . . . . 0.0 108.7 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -75.87 -36.67 59.47 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.468 -0.77 . . . . 0.0 110.022 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.5 m -65.31 -50.75 64.51 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.114 -0.991 . . . . 0.0 109.579 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.2 mt -60.17 -38.9 78.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.361 -0.837 . . . . 0.0 109.449 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -77.15 -29.79 54.76 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.255 -0.903 . . . . 0.0 110.471 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -91.82 -37.62 12.83 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.744 -1.222 . . . . 0.0 109.953 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -155.67 97.64 2.32 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.098 -1.001 . . . . 0.0 109.597 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.52 -3.31 13.71 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 121.617 1.545 . . . . 0.0 112.98 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -89.65 -28.84 19.22 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.936 -1.102 . . . . 0.0 110.809 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.4 m -83.6 23.38 0.96 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.767 -1.208 . . . . 0.0 109.59 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 t -120.68 103.4 43.63 Favored Pre-proline 0 N--CA 1.5 2.026 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.539 ' O ' ' NH1' ' A' ' 101' ' ' ARG . 38.2 Cg_endo -74.86 162.76 36.85 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.665 1.577 . . . . 0.0 112.695 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.43 170.43 19.95 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.768 2.312 . . . . 0.0 112.165 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.1 pt -108.08 163.94 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -84.56 132.66 34.49 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.099 -1.0 . . . . 0.0 108.77 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.9 t -136.4 137.92 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.2 mt -88.47 133.29 34.17 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.463 -0.773 . . . . 0.0 110.069 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -108.32 107.73 18.44 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.418 HG21 HD13 ' A' ' 84' ' ' ILE . 27.6 mt -126.56 145.63 33.77 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 121.398 -0.814 . . . . 0.0 109.785 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.531 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 37.3 mttp -108.7 156.6 19.39 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 121.548 0.689 . . . . 0.0 109.594 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.36 -168.12 37.13 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.49 -6.5 36.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.549 -0.971 . . . . 0.0 110.776 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -130.0 39.09 3.73 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.062 -1.024 . . . . 0.0 110.799 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.85 -12.91 0.97 Allowed Glycine 0 N--CA 1.493 2.476 0 O-C-N 121.102 -0.999 . . . . 0.0 111.658 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.526 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -50.35 108.39 0.5 Allowed Glycine 0 N--CA 1.487 2.037 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.531 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 12.6 m-20 -76.53 136.4 39.3 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.452 -1.028 . . . . 0.0 109.176 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.526 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 98.7 m-85 -131.82 130.65 42.03 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -104.28 120.53 41.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.318 -0.864 . . . . 0.0 110.185 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -107.14 137.62 44.87 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.49 132.98 49.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.696 -0.628 . . . . 0.0 109.397 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -134.49 90.67 2.69 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 135.27 -163.94 24.85 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.39 24.28 0.98 Allowed Glycine 0 N--CA 1.495 2.612 0 O-C-N 121.097 -1.237 . . . . 0.0 110.36 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.4 m -53.43 -56.18 18.98 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.92 -1.341 . . . . 0.0 109.796 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -61.71 -33.95 74.93 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.116 -0.99 . . . . 0.0 109.749 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.539 ' NH1' ' O ' ' A' ' 77' ' ' PRO . 1.6 tpp85 -63.92 -31.37 72.52 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.982 -1.074 . . . . 0.0 109.228 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -68.7 -42.65 77.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.244 -0.91 . . . . 0.0 109.064 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.6 -44.47 89.89 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.282 -0.886 . . . . 0.0 110.113 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.78 -45.81 92.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.022 -1.049 . . . . 0.0 109.518 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -68.48 -42.89 78.05 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.29 -0.881 . . . . 0.0 109.146 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.24 -35.45 80.45 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.337 -0.852 . . . . 0.0 110.024 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -70.31 -36.84 74.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.215 -0.928 . . . . 0.0 109.615 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 91.3 mt -74.04 11.06 0.98 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.276 -0.89 . . . . 0.0 109.813 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 45.43 43.15 8.41 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.273 -0.892 . . . . 0.0 110.154 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 70.2 mmt-85 -81.59 160.9 23.71 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.16 -0.963 . . . . 0.0 109.084 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.635 ' HG2' HG23 ' A' ' 112' ' ' THR . 12.6 tt0 -84.29 -42.59 15.67 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.508 -0.745 . . . . 0.0 110.567 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.649 HG22 ' HA ' ' A' ' 45' ' ' PRO . 22.8 p -133.75 177.02 8.04 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.843 -1.161 . . . . 0.0 110.578 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.8 tt -139.05 140.64 27.32 Favored Pre-proline 0 N--CA 1.504 2.241 0 O-C-N 121.615 -0.678 . . . . 0.0 110.027 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -67.91 131.29 23.63 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 120.893 1.062 . . . . 0.0 110.519 177.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.12 129.38 11.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.098 -1.001 . . . . 0.0 109.897 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 29.0 tttp -72.68 123.94 24.3 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.514 -0.741 . . . . 0.0 109.17 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 53.2 mt -87.86 136.46 32.95 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.071 -1.018 . . . . 0.0 109.285 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 95.8 t -132.98 107.3 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.569 -0.707 . . . . 0.0 109.149 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.474 ' CD ' ' N ' ' A' ' 120' ' ' SER . 0.0 OUTLIER -50.3 132.45 24.35 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.249 -0.907 . . . . 0.0 108.896 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.474 ' N ' ' CD ' ' A' ' 119' ' ' GLN . 5.2 m -138.83 -178.79 5.48 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.312 -0.867 . . . . 0.0 109.432 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.1 p -127.45 160.46 31.39 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.571 -0.706 . . . . 0.0 109.438 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.8 tp -54.59 -27.61 40.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.096 -1.002 . . . . 0.0 109.601 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.4 t -59.82 -47.14 86.93 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.905 -1.122 . . . . 0.0 109.258 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -55.86 -37.2 68.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.023 -1.048 . . . . 0.0 108.563 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 125' ' ' LEU . 5.3 tp -67.73 -32.21 72.68 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.964 -1.085 . . . . 0.0 109.476 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -64.01 -35.21 79.97 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.775 -1.203 . . . . 0.0 108.615 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 67.1 t -58.88 -35.96 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.1 -1.0 . . . . 0.0 108.688 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -90.02 -47.5 7.8 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.207 -0.933 . . . . 0.0 110.719 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' A' ' 131' ' ' ALA . 66.8 mt -117.97 45.77 1.9 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.473 -0.767 . . . . 0.0 110.278 -178.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.34 37.87 0.12 Allowed Glycine 0 N--CA 1.489 2.212 0 C-N-CA 119.799 -1.191 . . . . 0.0 110.247 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.86 -53.77 0.09 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.904 -1.35 . . . . 0.0 109.333 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.7 t -99.12 36.17 1.77 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.184 -0.947 . . . . 0.0 109.361 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.31 121.73 84.21 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.283 -0.885 . . . . 0.0 109.378 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -78.78 -173.98 2.09 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.055 1.837 . . . . 0.0 111.899 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -109.89 95.54 5.67 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.33 142.61 57.69 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.673 0.749 . . . . 0.0 110.858 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 . . . . . 0 N--CA 1.497 1.895 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.204 179.412 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.979 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.19 -174.38 4.43 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.279 -0.888 . . . . 0.0 109.635 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.2 t -75.12 144.01 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.449 -0.782 . . . . 0.0 109.108 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -152.14 146.94 25.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.323 -0.861 . . . . 0.0 109.735 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -84.47 96.14 9.02 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.2 p -89.87 125.06 62.06 Favored Pre-proline 0 N--CA 1.498 1.954 0 O-C-N 121.15 -0.969 . . . . 0.0 109.102 -179.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.647 ' HA ' HG22 ' A' ' 112' ' ' THR . 88.7 Cg_exo -47.24 141.2 13.76 Favored 'Trans proline' 0 N--CA 1.499 1.822 0 C-N-CA 121.909 1.739 . . . . 0.0 113.792 -179.262 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.8 mt -67.88 -31.27 70.96 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.475 -0.766 . . . . 0.0 109.119 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.0 t -67.72 -16.73 64.28 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.583 -0.698 . . . . 0.0 112.519 -177.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.5 m -111.44 24.5 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.285 0 O-C-N 120.656 -1.278 . . . . 0.0 110.993 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.53 126.06 37.44 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.74 -1.225 . . . . 0.0 109.041 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.7 mt -94.98 118.62 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.391 -0.818 . . . . 0.0 110.122 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.3 mtp-105 -135.11 95.22 15.22 Favored Pre-proline 0 N--CA 1.496 1.867 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -95.84 25.96 0.28 Allowed 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 122.841 2.361 . . . . 0.0 112.589 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tt -130.95 101.85 16.42 Favored Pre-proline 0 N--CA 1.502 2.163 0 O-C-N 121.303 -0.873 . . . . 0.0 109.894 -178.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -48.02 169.52 0.07 OUTLIER 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.942 1.761 . . . . 0.0 112.053 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.8 m -159.96 162.68 34.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.107 -0.996 . . . . 0.0 109.945 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -107.35 110.56 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 75.2 mt -92.43 146.56 23.59 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.191 -0.943 . . . . 0.0 110.773 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -108.42 139.88 21.21 Favored Pre-proline 0 N--CA 1.49 1.552 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -75.96 -19.04 16.26 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 122.085 1.857 . . . . 0.0 113.015 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.66 -42.62 17.91 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.944 -1.097 . . . . 0.0 110.265 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.21 -31.84 66.22 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.05 -1.032 . . . . 0.0 109.939 -179.043 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 64.8 t -68.06 -35.57 72.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.824 -1.173 . . . . 0.0 109.03 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -66.31 -40.55 90.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.229 -0.919 . . . . 0.0 108.631 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.2 t -60.04 -39.63 86.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.29 -0.881 . . . . 0.0 109.235 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mt -74.67 -50.12 18.85 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.283 -0.886 . . . . 0.0 108.847 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.3 t -55.5 -30.88 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 O-C-N 121.194 -0.941 . . . . 0.0 108.675 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -76.52 -38.82 54.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.401 -0.812 . . . . 0.0 109.605 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.6 m -64.58 -51.67 61.57 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.416 -0.803 . . . . 0.0 109.379 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.5 mt -57.76 -40.9 78.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 121.406 -0.808 . . . . 0.0 109.196 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -76.97 -31.31 56.46 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.231 -0.918 . . . . 0.0 110.434 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -89.24 -35.46 16.17 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.838 -1.164 . . . . 0.0 110.128 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.432 ' OD1' ' OD2' ' A' ' 74' ' ' ASP . 37.4 t0 -156.61 97.32 2.16 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.221 -0.924 . . . . 0.0 109.317 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.91 -6.65 18.9 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 121.471 1.447 . . . . 0.0 113.06 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 75' ' ' SER . 1.5 p30 -88.13 -40.0 14.11 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.934 -1.104 . . . . 0.0 110.177 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.523 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 24.0 m -71.85 22.53 0.05 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.979 -1.076 . . . . 0.0 109.923 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.484 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.6 t -118.62 106.68 43.86 Favored Pre-proline 0 N--CA 1.499 1.998 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -76.27 162.07 34.28 Favored 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 121.616 1.544 . . . . 0.0 112.889 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -76.89 172.71 15.7 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.83 2.353 . . . . 0.0 112.193 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.459 HG22 HH21 ' A' ' 101' ' ' ARG . 4.4 pt -111.54 165.27 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -88.42 135.87 33.26 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.277 -0.89 . . . . 0.0 108.712 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.4 t -138.5 137.36 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.372 -0.83 . . . . 0.0 109.308 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.3 mt -87.23 131.59 34.17 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.418 -0.801 . . . . 0.0 109.444 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -111.69 110.04 20.22 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 27.3 mt -128.06 148.4 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 O-C-N 121.416 -0.803 . . . . 0.0 110.193 -178.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.514 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 27.3 mttp -107.63 158.36 17.31 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 121.742 0.782 . . . . 0.0 110.102 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.42 -167.92 32.69 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.71 -6.59 38.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.641 -0.917 . . . . 0.0 110.786 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -129.89 33.81 4.36 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.998 -1.064 . . . . 0.0 110.81 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.431 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 73.98 -13.84 4.11 Favored Glycine 0 N--CA 1.496 2.658 0 O-C-N 121.069 -1.019 . . . . 0.0 111.265 178.236 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.07 107.84 0.29 Allowed Glycine 0 N--CA 1.487 2.084 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.514 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 6.5 m-20 -75.84 133.07 40.71 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.521 -0.987 . . . . 0.0 109.444 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.6 m-85 -129.73 130.24 45.19 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -103.54 117.73 35.11 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.243 -0.911 . . . . 0.0 110.096 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -105.81 132.2 52.22 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.9 t -123.78 134.22 53.68 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.517 -0.739 . . . . 0.0 109.604 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -133.52 88.39 2.48 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 141.54 -165.02 26.54 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 44.88 22.89 0.5 Allowed Glycine 0 N--CA 1.495 2.605 0 O-C-N 121.169 -1.195 . . . . 0.0 110.49 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 97' ' ' GLY . 11.0 m -50.66 -49.85 56.1 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.865 -1.374 . . . . 0.0 109.653 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -66.93 -43.95 81.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.18 -0.95 . . . . 0.0 109.838 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.459 HH21 HG22 ' A' ' 79' ' ' ILE . 7.2 ttp180 -57.24 -28.06 62.59 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.971 -1.081 . . . . 0.0 109.261 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -71.26 -43.63 66.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.046 -1.034 . . . . 0.0 108.715 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.75 -39.89 90.4 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.271 -0.893 . . . . 0.0 109.736 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.46 -49.24 72.22 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.116 -0.99 . . . . 0.0 109.364 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -64.61 -43.7 92.92 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.203 -0.935 . . . . 0.0 108.538 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -61.97 -45.79 92.09 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.36 -0.837 . . . . 0.0 109.434 -179.802 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.416 ' C ' ' H ' ' A' ' 109' ' ' GLN . 33.7 tt0 -58.56 -40.27 82.6 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.413 -0.805 . . . . 0.0 110.071 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.4 mt -73.03 11.78 0.64 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.092 -1.005 . . . . 0.0 109.77 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' A' ' 107' ' ' GLN . 46.3 tt0 44.92 46.25 8.93 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.36 -0.838 . . . . 0.0 110.157 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 -85.85 160.65 19.38 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.065 -1.022 . . . . 0.0 108.852 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -82.89 -41.66 18.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.388 -0.82 . . . . 0.0 110.774 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.647 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.0 p -134.01 177.33 7.82 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.953 -1.092 . . . . 0.0 110.939 -178.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.4 tt -139.65 140.95 26.48 Favored Pre-proline 0 N--CA 1.502 2.155 0 O-C-N 121.667 -0.646 . . . . 0.0 110.143 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -67.05 131.07 24.32 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 120.817 1.011 . . . . 0.0 110.66 177.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.24 134.15 13.94 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.151 -0.968 . . . . 0.0 109.495 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.72 119.61 21.48 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.307 -0.871 . . . . 0.0 108.991 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 51.9 mt -78.83 138.47 38.18 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.195 -0.941 . . . . 0.0 109.174 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 52.9 t -133.78 102.07 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -58.28 123.63 16.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.219 -0.925 . . . . 0.0 108.973 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.5 m -130.65 -178.97 5.02 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.473 -0.767 . . . . 0.0 109.685 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.7 p -118.11 160.63 21.2 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-O 121.487 0.66 . . . . 0.0 109.418 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 32.0 tp -54.82 -34.35 62.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.143 -0.973 . . . . 0.0 109.853 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 72.2 m -54.49 -47.63 72.79 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.959 -1.088 . . . . 0.0 109.534 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -55.21 -43.21 74.26 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.09 -1.006 . . . . 0.0 109.034 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.7 -38.8 82.61 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.898 -1.126 . . . . 0.0 108.796 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -56.65 -35.75 68.74 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.251 -0.905 . . . . 0.0 109.288 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 99.8 t -59.42 -33.34 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.078 -1.014 . . . . 0.0 108.394 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -90.3 -48.87 6.87 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.364 -0.835 . . . . 0.0 110.771 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 131' ' ' ALA . 69.5 mt -116.78 45.1 1.9 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.517 -0.74 . . . . 0.0 110.193 -178.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.52 38.24 0.1 OUTLIER Glycine 0 N--CA 1.49 2.239 0 N-CA-C 110.359 -1.096 . . . . 0.0 110.359 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -155.37 -53.76 0.09 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.818 -1.401 . . . . 0.0 109.388 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.0 t -100.28 36.81 1.79 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.208 -0.933 . . . . 0.0 109.229 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.82 118.84 74.68 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.273 -0.892 . . . . 0.0 109.759 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -80.19 -174.84 2.42 Favored 'Trans proline' 0 N--CA 1.491 1.345 0 C-N-CA 121.84 1.693 . . . . 0.0 111.279 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -105.55 127.75 53.21 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.741 0.781 . . . . 0.0 109.016 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 97.5 mt -92.41 139.88 30.14 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.469 0.652 . . . . 0.0 110.17 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 . . . . . 0 N--CA 1.497 1.914 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.371 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.342 0.592 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.04 -174.43 4.43 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.301 -0.874 . . . . 0.0 109.562 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.7 t -74.97 143.89 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.451 -0.781 . . . . 0.0 109.001 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -152.01 145.05 24.53 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.275 -0.891 . . . . 0.0 109.837 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -84.66 94.09 8.56 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.0 p -86.77 125.21 67.66 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 121.154 -0.966 . . . . 0.0 109.298 -179.024 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.627 ' HA ' HG22 ' A' ' 112' ' ' THR . 71.6 Cg_exo -48.07 140.27 19.43 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 121.684 1.589 . . . . 0.0 113.314 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.25 -31.47 72.31 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.784 0.802 . . . . 0.0 109.502 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.4 p -63.88 -27.66 69.31 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.803 -0.56 . . . . 0.0 112.48 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.9 m -101.46 26.24 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.269 0 O-C-N 120.751 -1.218 . . . . 0.0 111.475 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 49' ' ' LEU . 73.3 mt -90.84 139.29 30.88 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.652 -1.28 . . . . 0.0 108.758 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.2 mt -106.95 116.74 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.56 -0.712 . . . . 0.0 109.902 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -133.33 95.24 18.48 Favored Pre-proline 0 N--CA 1.495 1.814 0 O-C-N 121.687 -0.633 . . . . 0.0 109.858 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -98.2 28.95 0.15 Allowed 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.987 2.458 . . . . 0.0 111.542 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.7 tt -141.9 88.23 9.52 Favored Pre-proline 0 N--CA 1.495 1.789 0 O-C-N 121.27 -0.894 . . . . 0.0 109.894 -178.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -48.01 169.19 0.08 OUTLIER 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.298 1.999 . . . . 0.0 111.917 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.6 m -158.19 164.67 36.32 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.071 -1.018 . . . . 0.0 110.081 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 56' ' ' VAL . 2.7 p -96.86 118.17 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 179.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.2 mt -100.52 146.58 26.92 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 122.04 0.924 . . . . 0.0 110.857 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.1 t70 -101.92 131.88 22.26 Favored Pre-proline 0 C--N 1.3 -1.573 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 178.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -74.75 -19.51 18.42 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 121.858 1.706 . . . . 0.0 112.576 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.525 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.39 -34.88 21.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.027 -1.046 . . . . 0.0 109.225 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.421 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 8.4 ttpt -74.12 -31.39 62.75 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.327 -0.858 . . . . 0.0 109.761 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.1 t -72.4 -35.89 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 120.988 -1.07 . . . . 0.0 109.063 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -64.48 -40.74 96.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.218 -0.926 . . . . 0.0 108.877 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.9 t -62.28 -37.68 86.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.236 -0.915 . . . . 0.0 109.364 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.6 mt -75.79 -44.76 39.76 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.287 -0.883 . . . . 0.0 109.046 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 37.5 t -55.49 -33.08 31.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -76.44 -37.56 56.79 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.383 -0.823 . . . . 0.0 110.111 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.6 m -65.21 -51.54 60.3 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.06 -1.025 . . . . 0.0 109.519 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.9 mt -56.18 -41.62 70.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.215 -0.928 . . . . 0.0 108.672 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.505 ' NE ' ' CD2' ' A' ' 108' ' ' LEU . 68.3 mtt180 -77.43 -27.29 52.2 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.345 -0.847 . . . . 0.0 110.475 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -90.09 -36.24 14.99 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.763 -1.21 . . . . 0.0 109.645 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -157.55 101.25 1.85 Allowed Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.231 -0.918 . . . . 0.0 109.282 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.48 -17.05 34.55 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 121.354 1.369 . . . . 0.0 113.07 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' A' ' 76' ' ' VAL . 43.1 m-20 -84.25 -28.24 27.35 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.855 -1.153 . . . . 0.0 110.286 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.6 m -74.65 17.39 0.21 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.898 -1.126 . . . . 0.0 109.412 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.462 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.2 t -131.2 104.39 15.06 Favored Pre-proline 0 N--CA 1.498 1.934 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -74.14 162.35 38.96 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 121.655 1.57 . . . . 0.0 112.931 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.21 169.45 20.66 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.79 2.327 . . . . 0.0 111.955 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.426 HG22 ' NH2' ' A' ' 101' ' ' ARG . 8.3 pt -106.7 165.08 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.61 -0.681 . . . . 0.0 109.754 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 80' ' ' ASP . 1.3 p-10 -88.27 132.93 34.19 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.7 t -136.47 135.21 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.28 -0.888 . . . . 0.0 109.668 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.9 mt -85.17 135.58 33.9 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.642 0.734 . . . . 0.0 109.153 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 8.4 t90 -115.7 115.97 27.27 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.4 mt -133.09 143.98 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 121.023 -1.048 . . . . 0.0 110.343 -178.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.502 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 0.6 OUTLIER -103.22 156.9 17.38 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.532 0.682 . . . . 0.0 109.606 -179.089 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.26 -167.81 31.54 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.866 -1.293 . . . . 0.0 109.866 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.63 -6.08 38.31 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.585 -0.95 . . . . 0.0 110.729 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -130.48 38.91 3.69 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.998 -1.064 . . . . 0.0 110.896 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.63 -13.13 1.27 Allowed Glycine 0 N--CA 1.493 2.447 0 O-C-N 121.173 -0.954 . . . . 0.0 111.746 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.518 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -51.62 109.14 0.74 Allowed Glycine 0 N--CA 1.486 2.009 0 O-C-N 120.764 -1.433 . . . . 0.0 109.632 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.502 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 5.3 m-20 -78.07 134.45 37.74 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.421 -1.046 . . . . 0.0 108.968 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.518 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.1 m-85 -128.44 126.01 39.69 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -100.77 121.35 41.52 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.211 -0.931 . . . . 0.0 109.992 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -108.81 132.55 53.88 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.718 -0.614 . . . . 0.0 109.694 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.3 130.26 52.49 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.586 -0.696 . . . . 0.0 109.307 178.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -131.08 90.01 2.82 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.13 -1.434 . . . . 0.0 107.13 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 135.97 -162.54 25.01 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 108.449 -1.86 . . . . 0.0 108.449 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.35 16.41 0.1 OUTLIER Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 97' ' ' GLY . 6.8 m -49.69 -48.98 49.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.164 -1.198 . . . . 0.0 109.977 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -67.04 -43.72 82.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.032 -1.042 . . . . 0.0 109.644 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.426 ' NH2' HG22 ' A' ' 79' ' ' ILE . 27.9 mtm180 -60.05 -29.31 68.45 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.924 -1.11 . . . . 0.0 109.056 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -68.92 -42.09 77.25 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.98 90.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.296 -0.878 . . . . 0.0 109.528 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.3 93.6 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.168 -0.957 . . . . 0.0 109.449 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -67.5 -44.26 78.89 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.242 -0.912 . . . . 0.0 108.759 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -60.09 -50.95 71.67 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.347 -0.846 . . . . 0.0 109.509 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.467 ' C ' ' H ' ' A' ' 109' ' ' GLN . 15.1 tm0? -56.6 -42.89 79.53 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.371 -0.831 . . . . 0.0 110.143 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.505 ' CD2' ' NE ' ' A' ' 70' ' ' ARG . 86.9 mt -67.61 7.77 0.44 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.102 -0.999 . . . . 0.0 109.621 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.467 ' H ' ' C ' ' A' ' 107' ' ' GLN . 44.6 tt0 45.45 42.51 7.79 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.332 -0.855 . . . . 0.0 110.109 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 27.0 mmt-85 -80.66 159.96 25.17 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.051 -1.031 . . . . 0.0 108.779 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -81.17 -41.49 22.3 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.447 -0.783 . . . . 0.0 110.624 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.627 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.4 p -133.44 177.86 7.36 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 120.973 -1.079 . . . . 0.0 110.975 -178.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.6 tt -138.93 141.1 29.12 Favored Pre-proline 0 N--CA 1.502 2.15 0 O-C-N 121.709 -0.619 . . . . 0.0 109.921 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.12 131.69 25.9 Favored 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 120.926 1.084 . . . . 0.0 110.89 177.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.92 134.56 13.62 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.113 -0.992 . . . . 0.0 109.728 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.2 115.41 18.85 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.402 -0.811 . . . . 0.0 109.283 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 52.8 mt -79.66 134.35 36.42 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.018 -1.051 . . . . 0.0 109.53 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 44.0 t -138.15 101.64 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.759 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 0.1 OUTLIER -53.07 133.63 38.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.151 -0.968 . . . . 0.0 109.603 -179.4 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -134.64 -177.77 4.76 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.0 p -116.45 159.0 22.66 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-O 121.718 0.77 . . . . 0.0 109.826 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 30.2 tp -55.28 -28.91 56.66 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.242 -0.911 . . . . 0.0 109.69 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 73.6 m -58.39 -48.05 81.89 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.959 -1.088 . . . . 0.0 109.319 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.16 -38.43 68.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.142 -0.974 . . . . 0.0 108.587 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 125' ' ' LEU . 6.0 tp -66.06 -31.83 72.94 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.9 -1.125 . . . . 0.0 109.095 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -62.32 -35.58 79.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.922 -1.111 . . . . 0.0 108.965 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.78 -34.86 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 O-C-N 121.191 -0.943 . . . . 0.0 108.599 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -90.16 -47.84 7.55 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.274 -0.891 . . . . 0.0 110.949 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 131' ' ' ALA . 65.9 mt -117.29 43.99 2.21 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.505 -0.747 . . . . 0.0 110.481 -177.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.91 37.9 0.1 Allowed Glycine 0 N--CA 1.488 2.109 0 C-N-CA 119.896 -1.145 . . . . 0.0 110.346 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.62 -54.83 0.11 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.882 -1.364 . . . . 0.0 109.306 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.4 p -99.86 35.26 2.07 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.254 -0.904 . . . . 0.0 109.223 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.62 121.39 85.14 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.316 -0.865 . . . . 0.0 109.455 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -79.59 -173.95 2.07 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.093 1.862 . . . . 0.0 111.786 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -110.29 95.75 5.78 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.7 141.43 57.85 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 121.704 0.764 . . . . 0.0 110.799 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.136 179.372 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -151.94 -174.92 5.02 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.254 -0.904 . . . . 0.0 109.793 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.1 t -75.66 144.6 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.495 -0.753 . . . . 0.0 109.083 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -152.5 143.02 22.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.343 -0.848 . . . . 0.0 109.583 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -80.21 93.72 5.92 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.5 p -86.18 123.82 71.12 Favored Pre-proline 0 N--CA 1.496 1.83 0 O-C-N 121.219 -0.926 . . . . 0.0 109.283 -179.027 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.642 ' HA ' HG22 ' A' ' 112' ' ' THR . 86.4 Cg_exo -47.18 141.72 12.78 Favored 'Trans proline' 0 N--CA 1.498 1.784 0 C-N-CA 121.859 1.706 . . . . 0.0 113.624 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 mt -68.54 -29.34 67.89 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.495 -0.753 . . . . 0.0 109.24 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 t -72.18 -12.81 61.35 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.475 -0.765 . . . . 0.0 112.707 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.0 m -112.79 25.59 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.282 0 O-C-N 120.625 -1.297 . . . . 0.0 110.752 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.2 mt -95.63 133.31 39.83 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.831 -1.168 . . . . 0.0 109.085 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 97.0 mt -99.0 116.62 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.388 -0.82 . . . . 0.0 109.503 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -132.57 96.13 19.23 Favored Pre-proline 0 N--CA 1.498 1.93 0 O-C-N 121.583 -0.698 . . . . 0.0 109.536 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.679 ' O ' HD12 ' A' ' 53' ' ' LEU . 20.4 Cg_endo -96.93 26.82 0.22 Allowed 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 123.137 2.558 . . . . 0.0 112.347 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.679 HD12 ' O ' ' A' ' 52' ' ' PRO . 1.4 mp -138.95 114.02 8.43 Favored Pre-proline 0 N--CA 1.499 1.975 0 O-C-N 121.285 -0.884 . . . . 0.0 108.979 -178.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.93 165.11 28.94 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 121.795 1.663 . . . . 0.0 111.712 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.6 m -149.23 165.5 31.71 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.061 -1.024 . . . . 0.0 109.904 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -95.9 109.82 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.0 mt -89.26 146.59 24.63 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 122.227 1.013 . . . . 0.0 110.965 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.6 t70 -104.86 133.93 19.9 Favored Pre-proline 0 C--N 1.3 -1.587 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.55 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 68.7 Cg_endo -73.64 -23.63 16.75 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.775 1.65 . . . . 0.0 112.713 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.488 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -81.63 -34.27 30.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.855 -1.153 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -75.63 -30.49 59.52 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.464 -0.772 . . . . 0.0 110.049 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.8 t -73.14 -51.45 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 120.818 -1.176 . . . . 0.0 108.33 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -50.28 -40.28 47.82 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.44 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.6 t -61.54 -41.01 96.71 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.256 -0.903 . . . . 0.0 109.445 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.2 mt -74.17 -46.16 43.99 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.303 -0.873 . . . . 0.0 108.892 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.0 t -55.72 -34.13 35.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.207 -0.933 . . . . 0.0 108.601 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -76.25 -33.71 59.17 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.421 -0.799 . . . . 0.0 109.532 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.8 m -67.33 -51.42 52.65 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.192 -0.943 . . . . 0.0 109.43 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.2 mt -58.56 -40.79 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.38 -0.825 . . . . 0.0 109.267 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -76.93 -32.84 57.64 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.203 -0.935 . . . . 0.0 110.298 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -88.96 -33.94 17.05 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.835 -1.165 . . . . 0.0 110.323 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.429 ' OD2' ' OD2' ' A' ' 74' ' ' ASP . 22.5 t70 -158.4 97.39 1.8 Allowed Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.158 -0.964 . . . . 0.0 109.509 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.04 -1.57 11.58 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 121.693 1.595 . . . . 0.0 112.951 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 76' ' ' VAL . 1.5 p-10 -88.94 -41.71 12.24 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.944 -1.098 . . . . 0.0 110.054 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.5 t -71.96 24.45 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.067 -1.021 . . . . 0.0 109.86 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.483 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.4 t -126.97 102.82 24.2 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 121.254 -0.904 . . . . 0.0 108.692 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -77.5 162.2 30.73 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.767 1.644 . . . . 0.0 112.934 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.72 170.97 19.08 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 122.782 2.322 . . . . 0.0 112.144 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.428 HG22 HH21 ' A' ' 101' ' ' ARG . 7.3 pt -107.18 167.4 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.663 -0.648 . . . . 0.0 109.47 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 81' ' ' VAL . 13.6 t0 -91.63 137.84 32.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.204 -0.935 . . . . 0.0 108.553 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.44 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 16.1 t -138.69 137.86 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.531 -0.73 . . . . 0.0 109.219 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.2 mt -86.83 127.35 35.02 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.467 -0.771 . . . . 0.0 109.884 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -106.32 111.41 23.98 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.2 mt -126.47 145.01 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.38 -0.825 . . . . 0.0 110.087 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.585 ' HZ3' ' CG ' ' A' ' 91' ' ' ASP . 2.2 tttp -104.01 156.21 18.04 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.486 0.66 . . . . 0.0 110.292 -178.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.18 -174.68 37.58 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.45 -6.25 18.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.681 -0.893 . . . . 0.0 110.893 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -130.25 37.93 3.83 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.057 -1.027 . . . . 0.0 110.772 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.21 -13.23 2.04 Favored Glycine 0 N--CA 1.492 2.404 0 O-C-N 121.079 -1.013 . . . . 0.0 111.58 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.421 ' O ' ' CE1' ' A' ' 92' ' ' TYR . . . -50.94 111.1 1.14 Allowed Glycine 0 N--CA 1.486 1.999 0 O-C-N 120.785 -1.421 . . . . 0.0 109.598 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.585 ' CG ' ' HZ3' ' A' ' 85' ' ' LYS . 14.2 m-20 -79.76 133.0 36.3 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.539 -0.977 . . . . 0.0 109.963 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.421 ' CE1' ' O ' ' A' ' 90' ' ' GLY . 94.8 m-85 -126.05 149.29 48.97 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -122.66 119.14 29.86 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.283 -0.886 . . . . 0.0 110.263 -178.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -108.41 131.92 54.29 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.0 t -125.82 134.74 51.57 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -133.82 88.4 2.47 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 141.96 -161.64 27.14 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.05 24.99 0.9 Allowed Glycine 0 N--CA 1.494 2.551 0 O-C-N 121.247 -1.149 . . . . 0.0 110.357 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 4.9 m -52.2 -51.23 59.4 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.904 -1.351 . . . . 0.0 109.73 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -67.83 -49.26 63.2 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.261 -0.9 . . . . 0.0 109.727 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.428 HH21 HG22 ' A' ' 79' ' ' ILE . 8.6 ttp180 -53.74 -29.81 41.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.028 -1.045 . . . . 0.0 109.208 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -70.75 -42.83 69.94 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.129 -0.982 . . . . 0.0 108.795 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.34 -48.31 82.13 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.265 -0.897 . . . . 0.0 109.88 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.11 -44.47 74.99 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.042 -1.036 . . . . 0.0 109.322 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -69.36 -41.4 76.62 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.306 -0.872 . . . . 0.0 108.992 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -64.42 -34.73 78.85 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.215 -0.928 . . . . 0.0 110.038 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.486 ' C ' ' H ' ' A' ' 109' ' ' GLN . 55.3 tt0 -73.0 -41.93 63.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.2 -0.938 . . . . 0.0 109.836 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.83 9.31 0.19 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.304 -0.873 . . . . 0.0 109.896 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.486 ' H ' ' C ' ' A' ' 107' ' ' GLN . 19.0 tp60 46.57 43.17 12.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.225 -0.922 . . . . 0.0 109.898 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -82.52 159.17 22.89 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.169 -0.957 . . . . 0.0 108.977 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.417 ' CD ' ' N ' ' A' ' 111' ' ' GLU . 16.4 mp0 -82.51 -40.65 20.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.406 -0.809 . . . . 0.0 110.839 -179.116 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.642 HG22 ' HA ' ' A' ' 45' ' ' PRO . 36.4 p -133.86 177.88 7.38 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.981 -1.074 . . . . 0.0 110.757 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.21 141.11 28.37 Favored Pre-proline 0 N--CA 1.503 2.199 0 O-C-N 121.688 -0.633 . . . . 0.0 110.013 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.38 130.27 23.44 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 120.919 1.079 . . . . 0.0 110.917 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.52 133.32 14.01 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.137 -0.977 . . . . 0.0 109.626 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -78.98 111.74 15.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.361 -0.837 . . . . 0.0 108.854 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 65.9 mt -71.82 138.56 48.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.931 -1.106 . . . . 0.0 109.16 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.0 t -133.88 101.94 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.43 126.58 25.74 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.205 -0.935 . . . . 0.0 109.068 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.0 m -134.28 -179.41 5.55 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.398 -0.814 . . . . 0.0 109.646 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.7 p -119.07 160.26 22.38 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 121.568 0.699 . . . . 0.0 109.498 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.2 tp -55.5 -26.09 40.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.175 -0.953 . . . . 0.0 109.941 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.8 t -61.27 -49.47 76.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.888 -1.132 . . . . 0.0 109.683 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -55.05 -41.07 70.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.088 -1.007 . . . . 0.0 109.018 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.9 tp -59.55 -39.55 84.4 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 120.907 -1.121 . . . . 0.0 108.928 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.3 ttm105 -56.31 -36.93 69.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.167 -0.958 . . . . 0.0 109.249 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 97.4 t -58.63 -33.13 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 121.175 -0.953 . . . . 0.0 108.506 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -90.6 -48.65 6.95 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.262 -0.899 . . . . 0.0 110.828 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' A' ' 131' ' ' ALA . 65.6 mt -117.48 45.25 1.96 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.473 -0.767 . . . . 0.0 110.211 -178.114 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.71 38.89 0.1 Allowed Glycine 0 N--CA 1.489 2.215 0 C-N-CA 119.989 -1.101 . . . . 0.0 110.381 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.54 -58.05 0.12 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.806 -1.408 . . . . 0.0 109.519 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.8 m -98.95 36.94 1.6 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.118 -0.989 . . . . 0.0 109.233 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.62 118.66 71.86 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.286 -0.884 . . . . 0.0 109.797 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -79.4 -174.32 2.23 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.87 1.713 . . . . 0.0 111.32 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -108.0 127.66 53.96 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.434 -0.791 . . . . 0.0 109.045 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 96.7 mt -92.61 138.84 31.15 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.42 0.629 . . . . 0.0 110.197 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 . . . . . 0 N--CA 1.495 1.793 0 CA-C-O 117.878 -1.058 . . . . 0.0 109.044 179.389 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.29 0.567 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.27 -174.18 4.38 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.371 -0.831 . . . . 0.0 109.397 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.2 t -74.65 142.66 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.431 -0.793 . . . . 0.0 109.01 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -150.01 145.73 26.59 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.438 -0.789 . . . . 0.0 109.786 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -84.62 94.21 8.56 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.427 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.1 p -87.81 125.0 66.24 Favored Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.185 -0.947 . . . . 0.0 109.198 -179.141 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.64 ' HA ' HG22 ' A' ' 112' ' ' THR . 71.4 Cg_exo -48.23 140.12 20.49 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 121.78 1.653 . . . . 0.0 113.524 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.48 -31.7 72.6 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.834 0.826 . . . . 0.0 109.298 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.9 p -62.03 -28.46 69.6 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.806 -0.558 . . . . 0.0 112.146 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.8 m -101.62 24.97 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 120.85 -1.156 . . . . 0.0 111.393 -178.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.3 mt -91.86 126.18 36.85 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.698 -1.251 . . . . 0.0 108.867 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.8 mt -93.95 118.68 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.401 -0.812 . . . . 0.0 110.194 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -134.15 95.33 16.89 Favored Pre-proline 0 N--CA 1.494 1.77 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -97.43 30.53 0.15 Allowed 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 123.103 2.535 . . . . 0.0 112.004 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tp -140.55 124.72 10.63 Favored Pre-proline 0 N--CA 1.498 1.942 0 O-C-N 121.212 -0.93 . . . . 0.0 109.066 -178.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -76.55 167.12 26.13 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.94 1.76 . . . . 0.0 111.787 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.9 m -155.78 162.12 40.55 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.06 -1.025 . . . . 0.0 109.879 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 56' ' ' VAL . 2.8 p -99.81 116.98 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.2 mt -98.67 145.89 26.42 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 122.234 1.016 . . . . 0.0 110.826 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -100.81 133.56 21.05 Favored Pre-proline 0 C--N 1.298 -1.636 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.095 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -75.74 -16.75 18.45 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 122.002 1.801 . . . . 0.0 113.145 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.541 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -86.89 -43.02 12.75 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.999 -1.063 . . . . 0.0 109.994 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -70.66 -31.88 68.95 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.269 -0.894 . . . . 0.0 109.677 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.7 t -68.4 -35.94 72.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.922 -1.111 . . . . 0.0 108.968 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -66.73 -35.6 80.49 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.0 t -65.94 -38.0 87.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.34 -0.85 . . . . 0.0 109.216 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.54 -46.63 30.99 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.235 -0.915 . . . . 0.0 108.68 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.7 t -55.17 -34.64 33.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.72 -33.43 58.17 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.467 -0.771 . . . . 0.0 109.622 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.0 m -67.61 -51.74 46.67 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.145 -0.972 . . . . 0.0 109.402 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.625 ' CG2' HH12 ' A' ' 110' ' ' ARG . 16.7 mt -57.9 -41.4 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.376 -0.827 . . . . 0.0 109.151 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.498 ' NE ' HD22 ' A' ' 108' ' ' LEU . 59.7 mtt180 -77.04 -32.56 57.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.276 -0.89 . . . . 0.0 110.373 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -86.11 -35.66 20.07 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.845 -1.159 . . . . 0.0 109.855 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -159.41 100.67 1.54 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.231 -0.918 . . . . 0.0 109.439 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.6 -8.7 21.94 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.522 1.482 . . . . 0.0 113.175 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.41 ' C ' ' H ' ' A' ' 76' ' ' VAL . 51.3 m-20 -86.39 -29.99 22.48 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.788 -1.195 . . . . 0.0 110.436 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.3 p -77.9 21.27 0.32 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.862 -1.148 . . . . 0.0 109.401 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.41 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.1 t -126.98 103.83 23.36 Favored Pre-proline 0 N--CA 1.499 2.003 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -75.9 162.21 35.1 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 121.75 1.633 . . . . 0.0 113.031 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.18 172.37 16.14 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.852 2.368 . . . . 0.0 112.116 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 pt -112.5 165.91 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -88.82 135.58 33.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.266 -0.896 . . . . 0.0 108.731 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.0 t -136.96 138.74 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.438 -0.789 . . . . 0.0 109.191 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 mt -86.53 127.76 34.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.467 -0.771 . . . . 0.0 110.122 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -104.34 111.06 23.54 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 84' ' ' ILE . 19.1 mt -127.82 140.75 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.358 -0.839 . . . . 0.0 109.74 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.618 ' HZ1' ' CG ' ' A' ' 91' ' ' ASP . 4.9 tttp -104.62 156.35 18.05 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.681 -0.637 . . . . 0.0 109.478 -179.223 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.74 -169.79 31.25 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.6 -7.15 36.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.699 -0.883 . . . . 0.0 110.778 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -129.91 39.3 3.71 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.07 -1.019 . . . . 0.0 110.806 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.433 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 67.67 -10.98 0.95 Allowed Glycine 0 N--CA 1.493 2.48 0 O-C-N 121.125 -0.984 . . . . 0.0 111.674 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -51.99 109.47 0.86 Allowed Glycine 0 N--CA 1.487 2.053 0 O-C-N 120.739 -1.448 . . . . 0.0 109.712 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.618 ' CG ' ' HZ1' ' A' ' 85' ' ' LYS . 3.9 m-20 -77.49 134.3 38.37 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.423 -1.045 . . . . 0.0 109.053 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.1 m-85 -128.95 125.41 37.43 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -102.2 117.26 34.39 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.256 -0.902 . . . . 0.0 110.136 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -105.6 134.11 49.24 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.69 135.79 52.5 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.521 -0.737 . . . . 0.0 109.279 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -135.51 90.63 2.63 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 135.51 -162.53 24.89 Favored Glycine 0 N--CA 1.496 2.638 0 N-CA-C 108.754 -1.739 . . . . 0.0 108.754 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.2 24.91 0.99 Allowed Glycine 0 N--CA 1.495 2.573 0 O-C-N 121.16 -1.2 . . . . 0.0 110.372 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.5 m -58.09 -55.54 33.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.913 -1.345 . . . . 0.0 109.93 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -55.24 -39.74 70.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.04 -1.037 . . . . 0.0 109.596 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -67.46 -31.16 71.13 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.016 -1.053 . . . . 0.0 109.435 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 102' ' ' TYR . 14.5 t80 -66.86 -42.17 86.08 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.955 -1.091 . . . . 0.0 108.515 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.07 -42.77 95.28 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.327 -0.858 . . . . 0.0 109.723 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.13 -46.36 89.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.188 -0.945 . . . . 0.0 109.531 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -68.9 -41.74 77.82 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.183 -0.948 . . . . 0.0 109.057 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.1 -33.32 75.22 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.268 -0.895 . . . . 0.0 109.38 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.459 ' C ' ' H ' ' A' ' 109' ' ' GLN . 29.1 tt0 -70.89 -41.95 70.65 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.342 -0.849 . . . . 0.0 109.514 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.498 HD22 ' NE ' ' A' ' 70' ' ' ARG . 93.4 mt -72.05 12.67 0.38 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.208 -0.932 . . . . 0.0 109.444 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.459 ' H ' ' C ' ' A' ' 107' ' ' GLN . 50.1 mm-40 46.82 32.96 1.95 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.384 -0.822 . . . . 0.0 110.267 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.625 HH12 ' CG2' ' A' ' 69' ' ' ILE . 21.7 mmt85 -68.76 156.33 38.5 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.927 -1.108 . . . . 0.0 108.58 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.406 ' CD ' ' N ' ' A' ' 111' ' ' GLU . 5.5 mp0 -80.75 -41.02 24.21 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.406 -0.809 . . . . 0.0 110.694 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.64 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.0 p -133.95 177.4 7.75 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.031 -1.043 . . . . 0.0 110.58 -178.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.58 141.44 28.34 Favored Pre-proline 0 N--CA 1.503 2.179 0 O-C-N 121.742 -0.599 . . . . 0.0 109.718 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -67.47 130.23 21.87 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 CA-C-N 120.018 1.042 . . . . 0.0 110.754 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -149.0 133.38 17.51 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.198 -0.939 . . . . 0.0 109.713 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -78.52 115.37 18.18 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.522 -0.736 . . . . 0.0 109.169 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 49.3 mt -80.55 135.09 36.03 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.082 -1.012 . . . . 0.0 109.292 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 64.4 t -136.21 111.8 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.467 -0.771 . . . . 0.0 109.025 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.6 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -49.77 131.66 21.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.228 -0.92 . . . . 0.0 109.422 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.4 m -134.27 -179.53 5.63 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.481 -0.762 . . . . 0.0 109.141 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.1 p -127.89 160.68 31.08 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.594 -0.691 . . . . 0.0 109.338 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.4 tp -55.89 -36.5 67.71 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.17 -0.956 . . . . 0.0 109.746 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.3 t -54.54 -45.98 73.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.883 -1.135 . . . . 0.0 109.505 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.22 -46.93 75.96 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.144 -0.973 . . . . 0.0 108.462 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.1 tp -58.86 -38.41 78.7 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.97 -1.081 . . . . 0.0 108.952 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.9 ttt-85 -56.59 -35.33 68.09 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.223 -0.923 . . . . 0.0 109.211 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 81.6 t -59.44 -33.72 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -90.47 -48.7 6.94 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.301 -0.874 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 131' ' ' ALA . 65.9 mt -115.7 44.12 1.95 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.431 -0.793 . . . . 0.0 110.319 -178.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.79 39.0 0.1 Allowed Glycine 0 N--CA 1.488 2.131 0 C-N-CA 119.944 -1.122 . . . . 0.0 110.37 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.6 -57.77 0.12 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.806 -1.408 . . . . 0.0 109.623 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.4 m -98.72 36.55 1.64 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.077 -1.015 . . . . 0.0 109.26 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.1 119.04 75.07 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.404 -0.81 . . . . 0.0 109.884 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -81.33 -174.33 2.16 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.029 1.819 . . . . 0.0 111.422 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -106.09 130.18 54.04 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.425 -0.797 . . . . 0.0 109.001 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.1 mt -89.84 137.06 32.65 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.525 0.678 . . . . 0.0 110.331 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.289 179.678 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.774 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.32 -174.12 4.12 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.336 -0.852 . . . . 0.0 109.384 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.2 t -74.62 141.35 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.344 -0.847 . . . . 0.0 108.787 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -145.88 147.58 31.93 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.23 -0.918 . . . . 0.0 109.781 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -84.3 93.09 8.15 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.6 p -88.05 122.61 69.87 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.188 -0.945 . . . . 0.0 108.672 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.664 ' HA ' HG22 ' A' ' 112' ' ' THR . 56.7 Cg_exo -47.06 143.02 10.53 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 121.683 1.588 . . . . 0.0 113.39 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.2 mt -69.98 -29.59 66.73 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.262 -0.899 . . . . 0.0 109.174 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.1 t -71.64 -12.22 61.23 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.516 -0.74 . . . . 0.0 112.54 -177.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 m -113.84 26.22 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.239 0 O-C-N 120.652 -1.28 . . . . 0.0 110.674 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.4 mt -97.78 123.46 41.73 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.974 -1.079 . . . . 0.0 108.908 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.2 mt -87.93 118.88 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.255 -0.903 . . . . 0.0 109.992 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.0 mtp-105 -133.96 93.44 20.28 Favored Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 121.759 -0.588 . . . . 0.0 109.508 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -99.38 29.52 0.13 Allowed 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 123.169 2.58 . . . . 0.0 112.175 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tt -142.03 88.15 9.42 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 121.155 -0.966 . . . . 0.0 109.897 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -48.64 169.51 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.299 1.999 . . . . 0.0 111.964 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m -158.02 165.6 34.66 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.138 -0.977 . . . . 0.0 110.026 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 56' ' ' VAL . 2.8 p -95.97 116.76 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.0 mt -96.51 146.2 25.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.106 -0.996 . . . . 0.0 111.028 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -98.85 134.35 21.61 Favored Pre-proline 0 C--N 1.298 -1.632 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.002 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -76.63 -16.18 16.85 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.922 1.748 . . . . 0.0 113.125 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.54 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -87.27 -44.18 11.63 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.866 -1.146 . . . . 0.0 110.036 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -31.6 70.94 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.278 -0.888 . . . . 0.0 109.624 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.8 t -67.5 -53.6 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.993 -1.067 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -38.67 65.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.208 -0.933 . . . . 0.0 109.043 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.5 t -61.57 -37.73 84.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -0.888 . . . . 0.0 109.34 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.55 -47.86 24.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.294 -0.879 . . . . 0.0 108.852 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.6 t -54.41 -28.7 19.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -75.16 -41.8 57.39 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.482 -0.761 . . . . 0.0 109.723 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.8 m -63.59 -50.09 70.79 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.306 -0.871 . . . . 0.0 109.193 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.9 mt -58.04 -40.72 78.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.456 -0.777 . . . . 0.0 109.213 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -76.29 -31.98 58.53 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.325 -0.86 . . . . 0.0 110.444 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -83.3 -36.46 24.45 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.785 -1.197 . . . . 0.0 109.623 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -158.42 96.41 1.83 Allowed Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.385 -0.822 . . . . 0.0 109.329 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.64 -17.56 29.62 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 121.595 1.53 . . . . 0.0 113.605 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -94.12 3.41 55.34 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.729 -1.232 . . . . 0.0 110.359 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.5 m -106.65 14.35 27.03 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.157 -0.964 . . . . 0.0 110.133 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -112.84 136.19 21.64 Favored Pre-proline 0 N--CA 1.501 2.102 0 O-C-N 121.29 -0.881 . . . . 0.0 108.635 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -79.56 162.7 24.59 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 121.879 1.719 . . . . 0.0 113.259 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -82.23 170.8 13.16 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.795 2.33 . . . . 0.0 111.63 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.442 HG22 ' NH2' ' A' ' 101' ' ' ARG . 4.0 pt -109.16 163.63 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -89.28 132.71 34.78 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.187 -0.946 . . . . 0.0 108.48 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.89 139.0 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.393 -0.817 . . . . 0.0 109.188 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.7 mt -85.76 131.61 34.29 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.475 -0.765 . . . . 0.0 110.074 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -109.8 105.01 14.06 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 54.8 mt -122.27 147.78 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.354 -0.841 . . . . 0.0 109.97 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.498 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 37.9 mttp -109.17 157.0 19.19 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 121.562 0.696 . . . . 0.0 109.517 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.64 -172.36 36.31 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.75 -6.97 23.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.663 -0.904 . . . . 0.0 110.73 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -128.95 32.92 4.68 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.069 -1.019 . . . . 0.0 110.658 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.59 -14.19 4.5 Favored Glycine 0 N--CA 1.495 2.584 0 O-C-N 121.148 -0.97 . . . . 0.0 111.18 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.47 106.29 0.17 Allowed Glycine 0 N--CA 1.487 2.074 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.498 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 8.8 m-20 -76.11 134.84 39.89 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.465 -1.021 . . . . 0.0 109.137 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 99.0 m-85 -128.7 148.91 50.86 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -121.65 118.92 30.36 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.347 -0.846 . . . . 0.0 110.054 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -108.51 133.38 52.73 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 t -124.37 134.54 53.11 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.534 -0.729 . . . . 0.0 109.328 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -134.87 88.67 2.45 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 133.96 -164.02 24.47 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 108.883 -1.687 . . . . 0.0 108.883 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 46.7 13.58 0.09 OUTLIER Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.532 ' N ' ' O ' ' A' ' 97' ' ' GLY . 8.0 m -50.14 -49.13 52.99 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.015 -1.285 . . . . 0.0 109.541 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -57.29 -41.31 79.53 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.193 -0.942 . . . . 0.0 109.563 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.442 ' NH2' HG22 ' A' ' 79' ' ' ILE . 39.4 mtm180 -67.03 -30.07 70.05 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.986 -1.071 . . . . 0.0 109.381 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -67.29 -43.86 80.7 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.888 -1.133 . . . . 0.0 108.508 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.55 -48.21 81.63 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.308 -0.87 . . . . 0.0 109.572 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.19 -47.87 82.08 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.182 -0.949 . . . . 0.0 109.274 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -65.27 -35.58 81.46 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.269 -0.895 . . . . 0.0 108.841 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -70.69 -36.54 73.35 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.241 -0.912 . . . . 0.0 109.616 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -67.13 -31.67 72.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.339 -0.851 . . . . 0.0 109.55 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.4 mt -82.4 6.46 17.07 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.253 -0.905 . . . . 0.0 109.659 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 50.8 22.08 1.07 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.339 -0.851 . . . . 0.0 110.347 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -57.27 154.92 9.62 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.943 -1.098 . . . . 0.0 108.415 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -79.91 -41.92 25.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.312 -0.867 . . . . 0.0 110.389 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.664 HG22 ' HA ' ' A' ' 45' ' ' PRO . 33.5 p -133.02 176.96 8.04 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.972 -1.08 . . . . 0.0 110.839 -178.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.8 tt -137.58 141.94 35.18 Favored Pre-proline 0 N--CA 1.499 1.975 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -84.95 119.75 2.2 Favored 'Trans proline' 0 N--CA 1.482 0.838 0 CA-C-N 120.269 1.132 . . . . 0.0 110.92 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -135.37 138.57 43.47 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 121.599 0.714 . . . . 0.0 110.282 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -71.6 115.54 10.9 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.4 mt -80.83 138.18 36.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.962 -1.086 . . . . 0.0 109.244 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 97.7 t -134.29 110.78 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.604 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -48.83 138.62 10.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.186 -0.946 . . . . 0.0 109.442 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.1 m -141.34 -179.0 5.87 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.274 -0.891 . . . . 0.0 109.253 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.1 p -130.67 162.28 29.76 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.544 -0.722 . . . . 0.0 109.368 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 22.9 tp -56.23 -34.41 66.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.905 -1.122 . . . . 0.0 109.605 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.6 t -55.23 -45.46 75.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.874 -1.141 . . . . 0.0 109.212 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -54.95 -42.65 72.6 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.9 tp -63.72 -32.0 73.35 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.204 -0.935 . . . . 0.0 109.123 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -62.83 -34.06 76.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.862 -1.149 . . . . 0.0 109.042 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.29 -34.21 62.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 121.207 -0.933 . . . . 0.0 108.67 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -90.51 -47.5 7.67 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.281 -0.887 . . . . 0.0 110.821 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 131' ' ' ALA . 60.6 mt -119.55 46.19 1.97 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.462 -0.774 . . . . 0.0 110.283 -177.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.68 38.94 0.1 Allowed Glycine 0 N--CA 1.489 2.188 0 C-N-CA 120.006 -1.093 . . . . 0.0 110.395 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.65 -55.88 0.1 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.796 -1.414 . . . . 0.0 109.502 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.8 t -99.84 36.04 1.9 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.191 -0.943 . . . . 0.0 109.363 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.35 117.04 60.22 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.278 -0.889 . . . . 0.0 109.563 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -74.55 -177.81 3.6 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.606 1.538 . . . . 0.0 111.782 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -104.88 118.1 35.7 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 97.9 mt -82.72 139.79 33.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.505 -0.747 . . . . 0.0 110.306 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 . . . . . 0 N--CA 1.496 1.874 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.319 179.869 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.945 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -155.71 -174.66 5.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.242 -0.911 . . . . 0.0 109.897 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -76.78 142.13 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -145.42 163.19 35.39 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.207 -0.933 . . . . 0.0 109.789 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 43' ' ' ASN . 10.0 p30 -102.85 94.09 5.4 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.448 ' CG1' HD21 ' A' ' 49' ' ' LEU . 4.1 p -87.06 125.7 65.42 Favored Pre-proline 0 N--CA 1.497 1.878 0 O-C-N 121.258 -0.901 . . . . 0.0 109.538 -178.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.649 ' HA ' HG22 ' A' ' 112' ' ' THR . 80.7 Cg_exo -47.95 139.77 19.54 Favored 'Trans proline' 0 N--CA 1.499 1.803 0 C-N-CA 121.755 1.637 . . . . 0.0 113.453 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mt -67.5 -29.47 68.9 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.266 -0.896 . . . . 0.0 108.997 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -66.46 -19.07 65.7 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.593 -0.692 . . . . 0.0 112.17 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.8 m -110.77 24.06 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.269 0 O-C-N 120.698 -1.252 . . . . 0.0 110.877 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.448 HD21 ' CG1' ' A' ' 44' ' ' VAL . 65.5 mt -89.95 123.38 33.82 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.727 -1.233 . . . . 0.0 108.991 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.6 mt -94.1 116.29 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.323 -0.861 . . . . 0.0 109.783 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.5 mtp-105 -135.42 96.19 14.0 Favored Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 121.665 -0.647 . . . . 0.0 109.515 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -95.51 26.97 0.27 Allowed 'Trans proline' 0 C--N 1.314 -1.258 0 C-N-CA 122.883 2.389 . . . . 0.0 111.878 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 tt -141.76 94.75 7.22 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 121.351 -0.843 . . . . 0.0 109.378 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.81 166.61 28.92 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 121.554 1.503 . . . . 0.0 111.726 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m -147.46 168.06 22.86 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.108 -0.995 . . . . 0.0 110.011 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 56' ' ' VAL . 3.7 p -85.53 110.94 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 72.4 mt -92.09 146.86 23.39 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.01 -1.056 . . . . 0.0 110.582 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 3.1 t70 -103.13 137.27 19.21 Favored Pre-proline 0 C--N 1.299 -1.597 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -75.75 -15.93 18.87 Favored 'Trans proline' 0 N--CA 1.496 1.656 0 C-N-CA 121.973 1.782 . . . . 0.0 112.66 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.413 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.73 -38.63 18.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.06 -1.025 . . . . 0.0 109.808 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.416 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 7.4 ttmt -74.53 -31.91 62.29 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.154 -0.967 . . . . 0.0 109.512 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.25 -36.03 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.994 -1.066 . . . . 0.0 108.868 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -64.59 -40.93 96.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.285 -0.884 . . . . 0.0 109.17 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.3 t -61.55 -37.65 84.56 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.315 -0.866 . . . . 0.0 109.298 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mt -75.07 -47.92 26.43 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.283 -0.886 . . . . 0.0 108.669 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.2 t -55.77 -32.61 32.24 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -76.5 -34.67 58.61 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.531 -0.73 . . . . 0.0 109.647 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.4 m -67.41 -51.16 55.2 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.073 -1.017 . . . . 0.0 109.393 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.4 mt -57.91 -40.87 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.432 -0.793 . . . . 0.0 109.169 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.9 mtp85 -76.68 -33.46 58.25 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.279 -0.888 . . . . 0.0 110.156 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -87.06 -35.27 18.83 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.822 -1.174 . . . . 0.0 110.2 -179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -157.42 97.36 1.99 Allowed Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.167 -0.958 . . . . 0.0 109.663 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.54 -3.86 14.47 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 121.556 1.504 . . . . 0.0 112.911 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -91.21 -28.47 17.8 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.951 -1.093 . . . . 0.0 110.956 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.4 t -84.2 22.74 1.16 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.705 -1.247 . . . . 0.0 109.561 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 t -118.38 104.07 48.36 Favored Pre-proline 0 N--CA 1.5 2.031 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -75.07 162.37 37.06 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 121.626 1.551 . . . . 0.0 113.045 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.64 171.68 17.71 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.915 2.41 . . . . 0.0 112.151 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.1 pt -110.29 163.17 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.63 128.32 34.53 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.0 t -132.75 137.46 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.355 -0.84 . . . . 0.0 109.038 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.7 mt -86.23 133.05 33.86 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.571 -0.706 . . . . 0.0 110.11 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -110.27 107.36 17.09 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 84' ' ' ILE . 35.2 mt -125.37 146.04 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 121.363 -0.836 . . . . 0.0 109.8 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.518 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 38.3 mttp -108.61 157.11 18.8 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-O 121.583 0.706 . . . . 0.0 109.565 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.71 -170.57 31.45 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.96 -5.88 19.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.79 -0.829 . . . . 0.0 110.797 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -128.92 30.71 5.03 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.183 -0.948 . . . . 0.0 110.591 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.79 -13.68 4.01 Favored Glycine 0 N--CA 1.495 2.57 0 C-N-CA 120.15 -1.024 . . . . 0.0 110.947 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.52 109.78 0.58 Allowed Glycine 0 N--CA 1.486 2.006 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.518 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 11.6 m-20 -77.88 134.36 37.95 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.421 -1.046 . . . . 0.0 108.89 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 96.1 m-85 -129.32 131.09 46.86 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -105.81 119.94 40.44 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.298 -0.877 . . . . 0.0 110.143 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -107.5 142.52 37.24 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.44 136.34 47.89 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.531 -0.731 . . . . 0.0 109.402 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -137.97 91.28 2.56 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 132.64 -164.2 24.02 Favored Glycine 0 N--CA 1.497 2.723 0 N-CA-C 108.574 -1.81 . . . . 0.0 108.574 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.88 15.63 0.11 Allowed Glycine 0 N--CA 1.493 2.452 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 97' ' ' GLY . 6.5 m -49.81 -51.81 36.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.073 -1.251 . . . . 0.0 109.916 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -59.75 -36.32 76.4 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.105 -0.997 . . . . 0.0 109.576 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -68.27 -29.32 68.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.965 -1.084 . . . . 0.0 109.433 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -68.15 -42.94 79.32 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.995 -1.066 . . . . 0.0 108.81 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.12 -46.65 85.22 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.302 -0.874 . . . . 0.0 109.719 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.06 -46.56 82.38 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.219 -0.926 . . . . 0.0 109.497 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -68.19 -38.28 81.85 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.163 -0.961 . . . . 0.0 109.133 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -67.99 -33.31 74.38 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.178 -0.951 . . . . 0.0 109.551 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -72.56 -38.63 67.89 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.344 -0.848 . . . . 0.0 110.007 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.6 mt -76.58 8.68 3.32 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.166 -0.958 . . . . 0.0 109.863 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 45.15 60.31 3.07 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.293 -0.879 . . . . 0.0 110.197 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -93.18 161.62 14.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.093 -1.004 . . . . 0.0 108.612 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -82.41 -42.73 18.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.298 -0.876 . . . . 0.0 109.842 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.649 HG22 ' HA ' ' A' ' 45' ' ' PRO . 37.2 p -135.52 177.35 7.89 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.983 -1.073 . . . . 0.0 110.033 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.1 tt -138.43 141.0 29.92 Favored Pre-proline 0 N--CA 1.504 2.235 0 O-C-N 121.69 -0.631 . . . . 0.0 109.772 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -68.54 131.09 22.2 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 CA-C-N 120.022 1.044 . . . . 0.0 110.625 178.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -150.27 129.45 12.76 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.142 -0.973 . . . . 0.0 109.992 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -70.9 116.73 11.53 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.4 mt -83.76 137.45 33.73 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.954 -1.091 . . . . 0.0 109.428 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.6 t -137.55 111.88 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.598 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -48.78 138.98 10.4 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.166 -0.959 . . . . 0.0 109.46 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.6 m -141.88 -178.87 5.89 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.278 -0.889 . . . . 0.0 109.426 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.1 p -129.06 160.63 32.17 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.489 -0.757 . . . . 0.0 109.536 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.5 tp -55.54 -35.23 65.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.156 -0.965 . . . . 0.0 109.596 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.5 t -53.88 -45.31 71.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.915 -1.116 . . . . 0.0 109.03 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -55.23 -41.36 71.99 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.229 -0.919 . . . . 0.0 108.619 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.5 tp -64.95 -32.06 73.59 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.069 -1.019 . . . . 0.0 109.137 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -64.12 -34.84 78.97 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.869 -1.145 . . . . 0.0 109.135 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.25 -35.13 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 121.12 -0.988 . . . . 0.0 108.618 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -90.22 -47.47 7.77 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.225 -0.922 . . . . 0.0 110.67 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 131' ' ' ALA . 62.6 mt -118.21 46.15 1.85 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.456 -0.778 . . . . 0.0 110.12 -178.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.4 38.79 0.1 OUTLIER Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -155.39 -54.93 0.09 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.855 -1.379 . . . . 0.0 109.49 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.5 m -100.02 35.59 2.02 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.186 -0.946 . . . . 0.0 109.373 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.77 116.73 57.96 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.271 -0.893 . . . . 0.0 109.519 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -75.26 -178.03 3.94 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.65 1.567 . . . . 0.0 111.797 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -103.97 118.67 37.22 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.41 137.89 35.64 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.497 -0.752 . . . . 0.0 110.492 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 117.978 -1.011 . . . . 0.0 109.173 179.577 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.797 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -138.43 -174.73 3.89 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.371 -0.831 . . . . 0.0 109.524 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.8 t -75.15 143.52 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.382 -0.824 . . . . 0.0 109.227 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -152.16 141.14 21.17 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.378 -0.826 . . . . 0.0 109.484 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -80.18 96.9 6.69 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.2 p -91.06 124.7 61.01 Favored Pre-proline 0 N--CA 1.498 1.934 0 O-C-N 121.151 -0.968 . . . . 0.0 108.855 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.652 ' HA ' HG22 ' A' ' 112' ' ' THR . 71.0 Cg_exo -47.99 142.15 15.96 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 121.688 1.592 . . . . 0.0 113.471 -179.272 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -67.37 -34.31 77.03 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.816 0.817 . . . . 0.0 109.251 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.3 p -60.49 -34.4 74.0 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.9 -0.5 . . . . 0.0 111.91 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.7 m -94.64 18.63 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.758 -1.214 . . . . 0.0 111.569 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.1 mt -85.32 135.2 34.0 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.519 -1.363 . . . . 0.0 108.452 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.8 mt -103.69 115.85 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.525 -0.735 . . . . 0.0 109.956 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -133.28 95.96 17.81 Favored Pre-proline 0 N--CA 1.495 1.818 0 O-C-N 121.633 -0.667 . . . . 0.0 109.639 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -97.45 29.54 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 122.979 2.452 . . . . 0.0 111.746 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tt -140.81 87.92 10.92 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 121.315 -0.866 . . . . 0.0 109.779 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -49.09 169.42 0.1 OUTLIER 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.455 2.103 . . . . 0.0 112.015 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.6 m -156.53 165.32 36.62 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.132 -0.98 . . . . 0.0 109.893 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.8 t -97.11 110.22 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.2 mt -93.91 146.77 23.67 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.278 -0.889 . . . . 0.0 110.642 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.8 t70 -110.5 139.64 21.75 Favored Pre-proline 0 N--CA 1.492 1.642 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 179.212 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.57 -21.83 16.49 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.059 1.84 . . . . 0.0 113.004 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.514 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -76.14 -41.65 49.26 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.022 -1.048 . . . . 0.0 110.152 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -73.83 -38.76 64.44 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.177 -0.952 . . . . 0.0 109.509 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 75.0 t -64.73 -35.5 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.006 -1.059 . . . . 0.0 109.265 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -66.65 -38.1 86.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.19 -0.944 . . . . 0.0 108.718 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.7 t -64.59 -37.52 87.83 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.264 -0.897 . . . . 0.0 109.306 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mt -76.27 -46.58 27.32 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.269 -0.894 . . . . 0.0 108.789 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.4 t -55.41 -32.33 29.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -75.99 -35.36 59.62 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.412 -0.805 . . . . 0.0 109.508 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 m -67.32 -51.33 53.85 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.157 -0.964 . . . . 0.0 109.291 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.0 mt -57.61 -41.4 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.371 -0.831 . . . . 0.0 109.141 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -76.73 -32.77 58.01 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.247 -0.908 . . . . 0.0 110.25 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -85.38 -36.34 20.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.81 -1.182 . . . . 0.0 109.944 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -154.27 94.5 2.82 Favored Pre-proline 0 N--CA 1.494 1.728 0 O-C-N 121.261 -0.899 . . . . 0.0 109.41 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.15 -21.02 36.92 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 121.374 1.382 . . . . 0.0 112.977 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -85.52 -23.5 27.69 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.9 -1.125 . . . . 0.0 110.534 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.3 t -80.84 17.77 1.12 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.865 -1.147 . . . . 0.0 109.608 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 t -118.75 113.42 36.2 Favored Pre-proline 0 N--CA 1.499 1.993 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -76.35 162.3 33.79 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 121.66 1.573 . . . . 0.0 113.004 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.09 172.81 15.46 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.792 2.328 . . . . 0.0 112.045 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.422 HG22 HH21 ' A' ' 101' ' ' ARG . 4.4 pt -112.53 165.98 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.703 -0.623 . . . . 0.0 109.522 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -87.87 134.27 33.74 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 121.351 -0.843 . . . . 0.0 108.77 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.0 t -137.56 137.82 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.343 -0.848 . . . . 0.0 109.134 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.3 mt -87.43 136.52 32.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.513 -0.742 . . . . 0.0 109.449 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -116.14 108.47 16.21 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 84' ' ' ILE . 39.5 mt -126.22 148.79 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.404 -0.81 . . . . 0.0 110.182 -178.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.527 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 35.2 mttp -108.78 157.53 18.49 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.678 0.751 . . . . 0.0 110.0 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.07 -164.43 29.92 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.25 -6.94 43.54 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.611 -0.935 . . . . 0.0 110.783 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.433 ' C ' ' H ' ' A' ' 90' ' ' GLY . 36.7 mt-30 -131.17 40.32 3.46 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.02 -1.05 . . . . 0.0 110.696 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.4 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 65.66 -11.41 0.41 Allowed Glycine 0 N--CA 1.494 2.566 0 O-C-N 121.167 -0.958 . . . . 0.0 111.678 178.306 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.533 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.16 108.46 0.36 Allowed Glycine 0 N--CA 1.487 2.1 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.527 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 4.9 m-20 -76.82 131.15 38.5 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.428 -1.042 . . . . 0.0 109.38 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.533 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 94.9 m-85 -126.72 124.59 40.12 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -98.58 119.59 37.56 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.239 -0.913 . . . . 0.0 110.143 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -107.98 131.35 54.65 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 t -122.75 131.59 53.85 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.644 -0.66 . . . . 0.0 109.356 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -131.6 88.14 2.54 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 141.65 -165.59 26.42 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 108.621 -1.792 . . . . 0.0 108.621 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.01 23.06 0.56 Allowed Glycine 0 N--CA 1.494 2.534 0 O-C-N 121.117 -1.226 . . . . 0.0 110.404 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 97' ' ' GLY . 5.2 m -53.31 -52.87 57.73 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.908 -1.348 . . . . 0.0 109.658 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -63.51 -38.37 90.88 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.118 -0.989 . . . . 0.0 109.63 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.422 HH21 HG22 ' A' ' 79' ' ' ILE . 7.4 ttp180 -64.6 -30.61 71.64 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.959 -1.088 . . . . 0.0 109.359 179.607 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -67.6 -42.18 82.85 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.178 -0.951 . . . . 0.0 108.611 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.39 -44.29 92.8 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.327 -0.858 . . . . 0.0 109.668 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.44 -45.0 89.38 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.167 -0.958 . . . . 0.0 109.316 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -69.42 -40.79 77.08 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.303 -0.873 . . . . 0.0 109.037 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -65.92 -33.67 76.35 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.209 -0.932 . . . . 0.0 109.611 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -72.06 -39.32 69.12 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.257 -0.902 . . . . 0.0 109.81 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 98.2 mt -75.82 12.33 1.11 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.139 -0.976 . . . . 0.0 109.527 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 44.99 43.02 6.88 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.385 -0.822 . . . . 0.0 110.444 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 20.6 mmt85 -79.45 155.76 28.16 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.0 -1.063 . . . . 0.0 108.574 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -79.39 -41.65 27.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.378 -0.826 . . . . 0.0 110.59 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.652 HG22 ' HA ' ' A' ' 45' ' ' PRO . 37.2 p -133.93 177.24 7.88 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.019 -1.051 . . . . 0.0 110.647 -178.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.71 141.45 27.98 Favored Pre-proline 0 N--CA 1.503 2.211 0 O-C-N 121.637 -0.665 . . . . 0.0 109.832 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -68.76 131.29 22.34 Favored 'Trans proline' 0 N--CA 1.491 1.34 0 C-N-CA 120.909 1.073 . . . . 0.0 110.8 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.83 137.42 15.99 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.265 -0.897 . . . . 0.0 109.288 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.78 122.37 27.6 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 59.1 mt -78.63 138.94 38.57 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.378 -0.826 . . . . 0.0 109.149 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.0 t -133.32 101.89 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.42 127.46 29.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.29 -0.881 . . . . 0.0 109.014 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -134.44 -178.23 4.96 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.449 -0.782 . . . . 0.0 109.58 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.1 p -121.79 163.06 19.77 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.603 -0.686 . . . . 0.0 109.521 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.2 tp -57.28 -37.37 72.3 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.051 -1.031 . . . . 0.0 109.81 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.4 t -54.2 -40.16 67.34 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.845 -1.159 . . . . 0.0 109.592 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -62.02 -43.39 98.94 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.933 -1.104 . . . . 0.0 108.621 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.4 tp -60.19 -39.12 85.4 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.005 -1.059 . . . . 0.0 109.033 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 130' ' ' GLY . 17.3 ttp180 -56.83 -37.12 70.79 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.19 -0.944 . . . . 0.0 108.808 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 99.9 t -56.46 -34.15 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.064 -1.022 . . . . 0.0 108.319 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -90.27 -48.78 6.93 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.313 -0.867 . . . . 0.0 110.786 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 131' ' ' ALA . 72.3 mt -116.56 45.29 1.84 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.506 -0.746 . . . . 0.0 110.323 -178.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -64.94 39.1 0.1 Allowed Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.853 -1.165 . . . . 0.0 110.39 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.82 -56.24 0.11 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.856 -1.379 . . . . 0.0 109.552 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.5 p -99.65 36.21 1.83 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.155 -0.966 . . . . 0.0 109.372 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -75.86 119.59 77.87 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.269 -0.894 . . . . 0.0 109.676 -179.376 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -79.41 -174.87 2.46 Favored 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 121.862 1.708 . . . . 0.0 111.516 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -105.71 117.5 34.17 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 97.6 mt -81.85 139.05 34.95 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.427 -0.796 . . . . 0.0 110.292 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 N--CA 1.496 1.874 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.256 179.809 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.728 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -148.79 -174.75 4.7 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.237 -0.914 . . . . 0.0 109.779 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.1 t -75.24 144.23 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.476 -0.765 . . . . 0.0 109.185 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -152.25 150.69 30.07 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.348 -0.845 . . . . 0.0 109.691 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -87.68 94.96 9.89 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.3 p -88.0 124.12 67.53 Favored Pre-proline 0 N--CA 1.497 1.907 0 O-C-N 121.097 -1.002 . . . . 0.0 108.924 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.637 ' HA ' HG22 ' A' ' 112' ' ' THR . 85.3 Cg_exo -47.02 142.87 10.56 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 121.846 1.697 . . . . 0.0 113.673 -179.046 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mt -69.11 -31.26 69.84 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.408 -0.808 . . . . 0.0 109.164 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.5 t -69.14 -14.28 62.9 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.611 -0.681 . . . . 0.0 112.59 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.8 m -112.29 25.11 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.292 0 O-C-N 120.631 -1.293 . . . . 0.0 110.629 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.8 mt -89.13 139.14 30.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.899 -1.126 . . . . 0.0 108.541 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.0 mt -109.23 114.83 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.573 -0.704 . . . . 0.0 109.92 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -133.03 95.65 18.58 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.667 -0.646 . . . . 0.0 109.537 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -96.34 26.77 0.24 Allowed 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 122.863 2.376 . . . . 0.0 112.155 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tt -134.94 102.93 10.92 Favored Pre-proline 0 N--CA 1.502 2.129 0 O-C-N 121.366 -0.834 . . . . 0.0 109.917 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -47.42 169.4 0.06 OUTLIER 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 121.863 1.709 . . . . 0.0 112.055 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.7 m -158.5 162.64 37.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.087 -1.008 . . . . 0.0 109.989 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 56' ' ' VAL . 2.6 p -106.11 121.12 58.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.6 mt -105.55 146.71 29.26 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 122.038 0.923 . . . . 0.0 110.827 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.8 t70 -107.24 138.2 19.81 Favored Pre-proline 0 N--CA 1.49 1.533 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 178.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -76.46 -15.53 17.58 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 122.075 1.85 . . . . 0.0 113.105 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.404 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.5 -41.0 15.73 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.054 -1.029 . . . . 0.0 110.133 -179.377 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -74.99 -31.84 61.52 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.095 -1.003 . . . . 0.0 109.892 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 71.2 t -68.98 -35.91 71.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.009 -1.057 . . . . 0.0 109.427 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -66.76 -45.82 77.31 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.167 -0.958 . . . . 0.0 108.855 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.5 t -57.57 -38.19 74.39 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.187 -0.945 . . . . 0.0 109.321 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 mt -74.56 -50.47 17.9 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.31 -0.869 . . . . 0.0 109.118 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.6 t -55.03 -31.86 26.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -77.27 -37.22 53.37 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.56 -0.712 . . . . 0.0 109.541 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.7 m -63.73 -51.33 65.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.408 -0.808 . . . . 0.0 109.391 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.0 mt -57.48 -41.3 78.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 121.392 -0.818 . . . . 0.0 109.178 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.584 ' HE ' ' CD2' ' A' ' 108' ' ' LEU . 36.7 mtt-85 -77.15 -30.49 55.06 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.248 -0.908 . . . . 0.0 110.465 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -90.39 -34.26 15.72 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.749 -1.22 . . . . 0.0 110.157 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.425 ' OD2' ' OD1' ' A' ' 74' ' ' ASP . 21.4 t70 -158.98 97.8 1.67 Allowed Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.176 -0.953 . . . . 0.0 109.312 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.23 -0.7 10.63 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.647 1.565 . . . . 0.0 113.025 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 75' ' ' SER . 2.7 p30 -88.73 -42.0 12.22 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.959 -1.088 . . . . 0.0 110.096 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.518 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 5.8 m -71.84 24.38 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.036 -1.04 . . . . 0.0 109.919 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.484 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.1 t -124.79 103.3 31.2 Favored Pre-proline 0 N--CA 1.501 2.088 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.535 ' O ' ' NH2' ' A' ' 101' ' ' ARG . 49.3 Cg_endo -76.62 163.07 32.27 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 121.849 1.7 . . . . 0.0 113.035 -178.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.44 173.36 14.64 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 122.875 2.383 . . . . 0.0 112.117 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 pt -112.97 167.12 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -89.82 135.3 33.71 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.206 -0.934 . . . . 0.0 108.864 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.6 t -139.6 139.0 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.348 -0.845 . . . . 0.0 109.42 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.4 mt -85.88 142.46 28.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.349 -0.844 . . . . 0.0 109.467 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.442 ' NE1' ' OD1' ' A' ' 91' ' ' ASP . 12.0 t90 -122.13 109.63 14.77 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.422 HG21 HD13 ' A' ' 84' ' ' ILE . 25.9 mt -128.64 147.73 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 O-C-N 121.462 -0.774 . . . . 0.0 109.973 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.5 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 41.2 mttp -107.22 157.35 17.97 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.663 0.744 . . . . 0.0 109.959 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.44 -167.77 32.63 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.51 -6.95 39.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.695 -0.885 . . . . 0.0 110.852 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -129.36 33.91 4.45 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 120.974 -1.079 . . . . 0.0 110.792 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.07 -14.17 4.0 Favored Glycine 0 N--CA 1.495 2.612 0 O-C-N 121.129 -0.982 . . . . 0.0 111.278 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.524 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -49.42 108.05 0.39 Allowed Glycine 0 N--CA 1.485 1.944 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.5 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 6.1 m-20 -77.25 134.69 38.51 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.385 -1.068 . . . . 0.0 108.75 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.524 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 99.0 m-85 -128.03 126.49 41.38 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -100.93 119.94 39.43 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.25 -0.907 . . . . 0.0 110.137 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -108.31 130.15 55.2 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.81 -0.557 . . . . 0.0 109.546 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.1 t -121.21 128.44 52.44 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -126.6 87.51 2.67 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 135.29 -157.59 23.22 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 108.045 -2.022 . . . . 0.0 108.045 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.88 27.67 2.45 Favored Glycine 0 N--CA 1.493 2.447 0 O-C-N 121.141 -1.211 . . . . 0.0 110.168 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.8 m -60.31 -54.79 41.47 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.039 -1.271 . . . . 0.0 110.352 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -63.06 -55.02 29.1 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.059 -1.025 . . . . 0.0 109.95 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.535 ' NH2' ' O ' ' A' ' 77' ' ' PRO . 49.0 mtp180 -53.49 -29.65 37.26 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.875 -1.141 . . . . 0.0 109.029 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -72.26 -44.58 62.62 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.224 -0.922 . . . . 0.0 108.951 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.79 -46.98 83.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.297 -0.877 . . . . 0.0 109.875 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.03 -44.37 82.84 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.274 -0.891 . . . . 0.0 110.005 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -65.39 -37.75 87.92 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.125 -0.984 . . . . 0.0 109.24 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -67.32 -31.53 71.89 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.08 -1.013 . . . . 0.0 109.822 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -72.42 -35.9 68.46 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.157 -0.965 . . . . 0.0 110.258 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.584 ' CD2' ' HE ' ' A' ' 70' ' ' ARG . 99.0 mt -76.76 14.58 0.79 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.12 -0.987 . . . . 0.0 109.783 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 44.81 30.63 0.56 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.386 -0.821 . . . . 0.0 110.421 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -64.18 159.53 20.42 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.053 -1.029 . . . . 0.0 108.752 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -82.75 -43.25 17.0 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.506 -0.746 . . . . 0.0 109.863 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.637 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.3 p -133.79 177.69 7.52 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.059 -1.026 . . . . 0.0 110.275 -179.112 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.3 tt -137.35 141.2 33.08 Favored Pre-proline 0 N--CA 1.502 2.161 0 O-C-N 121.754 -0.591 . . . . 0.0 109.866 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -69.62 130.67 19.91 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 CA-C-N 120.102 1.072 . . . . 0.0 110.588 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.84 134.9 13.93 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.228 -0.92 . . . . 0.0 109.462 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -77.53 117.81 19.34 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.295 -0.878 . . . . 0.0 109.002 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 57.2 mt -76.61 139.58 40.68 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.155 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.4 t -133.63 101.85 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.425 ' OE1' ' N ' ' A' ' 120' ' ' SER . 0.8 OUTLIER -55.5 130.65 43.63 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.248 -0.907 . . . . 0.0 109.013 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.425 ' N ' ' OE1' ' A' ' 119' ' ' GLN . 4.9 m -138.83 -179.21 5.69 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.328 -0.857 . . . . 0.0 109.779 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.4 p -119.75 160.83 21.82 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 121.593 0.711 . . . . 0.0 109.443 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.9 tp -54.94 -34.51 63.3 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.156 -0.965 . . . . 0.0 109.707 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.5 m -53.94 -45.96 71.4 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.901 -1.124 . . . . 0.0 109.143 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -55.18 -42.42 73.2 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.163 -0.961 . . . . 0.0 108.695 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.7 tp -63.19 -32.24 73.59 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.981 -1.074 . . . . 0.0 108.999 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.7 ttt-85 -63.68 -33.94 76.75 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.965 -1.084 . . . . 0.0 109.117 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 87.8 t -60.94 -34.48 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 121.158 -0.964 . . . . 0.0 108.6 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -90.28 -47.91 7.48 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.321 -0.862 . . . . 0.0 110.689 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 131' ' ' ALA . 66.3 mt -118.21 45.95 1.89 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.505 -0.747 . . . . 0.0 110.071 -178.128 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.44 38.52 0.1 OUTLIER Glycine 0 N--CA 1.49 2.272 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.76 -55.35 0.1 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.828 -1.395 . . . . 0.0 109.472 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 39.0 m -100.16 35.54 2.05 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.175 -0.953 . . . . 0.0 109.333 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.55 116.69 55.71 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.256 -0.903 . . . . 0.0 109.581 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -75.98 -178.69 4.55 Favored 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 121.607 1.538 . . . . 0.0 111.654 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -102.45 129.01 48.83 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 94.6 mt -91.84 137.47 32.34 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 121.482 0.658 . . . . 0.0 110.241 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 . . . . . 0 N--CA 1.498 1.93 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.295 179.789 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.88 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.02 -175.1 4.83 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.194 -0.941 . . . . 0.0 109.761 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.6 t -76.02 144.66 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.543 -0.723 . . . . 0.0 109.08 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -151.82 140.91 21.24 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.304 -0.872 . . . . 0.0 109.702 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -81.32 95.79 7.1 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.1 p -88.87 123.38 67.75 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 121.109 -0.994 . . . . 0.0 109.16 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.643 ' HA ' HG22 ' A' ' 112' ' ' THR . 72.5 Cg_exo -48.02 140.45 18.89 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 121.781 1.654 . . . . 0.0 113.373 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.66 -30.79 71.13 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.392 -0.817 . . . . 0.0 109.281 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p -62.89 -27.12 69.14 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.777 -0.577 . . . . 0.0 112.11 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.0 m -104.26 24.54 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 O-C-N 120.863 -1.148 . . . . 0.0 111.342 -178.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.582 HD13 HH12 ' A' ' 51' ' ' ARG . 61.6 mt -90.63 138.65 31.4 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.708 -1.245 . . . . 0.0 108.583 178.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 63.6 mt -107.41 123.74 62.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.609 -0.682 . . . . 0.0 109.878 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.582 HH12 HD13 ' A' ' 49' ' ' LEU . 64.1 mtt85 -132.26 96.03 20.21 Favored Pre-proline 0 N--CA 1.496 1.855 0 O-C-N 121.516 -0.74 . . . . 0.0 109.666 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.686 ' O ' HD12 ' A' ' 53' ' ' LEU . 12.3 Cg_endo -95.19 22.63 0.43 Allowed 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 123.132 2.555 . . . . 0.0 112.417 178.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.686 HD12 ' O ' ' A' ' 52' ' ' PRO . 1.3 mp -140.19 132.57 14.68 Favored Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.189 -0.944 . . . . 0.0 108.829 -178.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -75.51 167.66 26.09 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.199 1.933 . . . . 0.0 112.275 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.9 m -151.81 162.48 40.97 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.253 -0.905 . . . . 0.0 109.687 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 56' ' ' VAL . 2.5 p -107.4 121.48 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.2 mt -105.2 146.6 29.04 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-O 122.049 0.928 . . . . 0.0 110.978 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 3.7 t70 -113.14 139.82 23.51 Favored Pre-proline 0 N--CA 1.49 1.574 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.13 -22.42 16.89 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 121.965 1.777 . . . . 0.0 113.003 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.46 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -78.32 -40.69 35.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.052 -1.03 . . . . 0.0 110.422 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -75.41 -32.28 60.68 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.051 -1.03 . . . . 0.0 110.028 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.8 t -69.92 -35.72 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 120.888 -1.133 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -66.98 -40.85 87.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.178 -0.951 . . . . 0.0 108.785 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.8 t -62.51 -37.69 87.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.246 -0.909 . . . . 0.0 109.316 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.3 mt -76.23 -47.26 24.6 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.311 -0.868 . . . . 0.0 109.049 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.9 t -55.25 -30.46 24.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -76.81 -39.11 52.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.593 -0.692 . . . . 0.0 109.502 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.5 m -62.09 -47.55 84.12 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.388 -0.82 . . . . 0.0 109.618 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.3 mt -64.7 -36.34 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.586 -0.697 . . . . 0.0 110.058 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 mtp-105 -78.86 -41.56 29.63 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.063 -1.023 . . . . 0.0 111.107 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -90.32 -34.13 15.83 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.812 -1.18 . . . . 0.0 111.501 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.426 ' OD2' ' OD1' ' A' ' 74' ' ' ASP . 16.4 t70 -154.71 93.64 2.79 Favored Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 120.956 -1.09 . . . . 0.0 109.433 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -83.91 8.14 4.79 Favored 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 122.089 1.86 . . . . 0.0 113.297 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 75' ' ' SER . 1.9 p30 -87.5 -46.23 9.78 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.995 -1.065 . . . . 0.0 109.822 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.51 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 6.2 m -72.04 28.17 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.217 -0.927 . . . . 0.0 109.795 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.486 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.2 t -120.49 103.2 44.4 Favored Pre-proline 0 N--CA 1.5 2.068 0 O-C-N 121.255 -0.903 . . . . 0.0 108.657 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.529 ' O ' ' NH2' ' A' ' 101' ' ' ARG . 55.5 Cg_endo -77.3 163.03 30.61 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 121.956 1.771 . . . . 0.0 113.015 -178.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.472 ' C ' ' NH2' ' A' ' 101' ' ' ARG . 71.8 Cg_endo -76.84 171.14 18.53 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.884 2.39 . . . . 0.0 112.202 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.1 pt -108.83 167.09 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.616 -0.677 . . . . 0.0 109.431 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -90.25 131.64 35.96 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 121.292 -0.88 . . . . 0.0 109.235 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.3 t -135.83 141.85 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.436 -0.79 . . . . 0.0 108.989 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mp -89.4 141.71 28.31 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.338 -0.851 . . . . 0.0 109.043 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -121.13 113.44 20.02 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.9 mt -133.69 148.97 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.349 -0.845 . . . . 0.0 110.037 -178.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.521 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 27.7 mttp -108.12 157.6 18.14 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.808 0.813 . . . . 0.0 110.618 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.91 -173.75 36.25 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.71 -1.356 . . . . 0.0 109.71 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.18 -4.56 10.64 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.661 -0.906 . . . . 0.0 110.901 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -129.08 26.92 5.44 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.181 -0.949 . . . . 0.0 110.738 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.427 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 79.35 -14.85 14.27 Favored Glycine 0 N--CA 1.494 2.567 0 C-N-CA 119.986 -1.102 . . . . 0.0 110.925 178.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.61 109.53 0.55 Allowed Glycine 0 N--CA 1.487 2.036 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.521 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 5.9 m-20 -77.14 134.83 38.58 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.485 -1.009 . . . . 0.0 109.075 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.4 m-85 -129.8 124.35 33.14 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -101.09 122.79 44.21 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.19 -0.944 . . . . 0.0 110.059 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -113.5 132.44 55.68 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.85 136.39 54.05 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -134.49 90.84 2.71 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 130.47 -158.38 22.45 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 108.379 -1.889 . . . . 0.0 108.379 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.49 24.74 1.14 Allowed Glycine 0 N--CA 1.493 2.487 0 O-C-N 121.123 -1.222 . . . . 0.0 110.408 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 4.0 m -56.21 -50.31 71.6 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.894 -1.356 . . . . 0.0 110.033 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -63.51 -53.9 44.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.061 -1.024 . . . . 0.0 109.918 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.529 ' NH2' ' O ' ' A' ' 77' ' ' PRO . 42.9 mtp180 -53.49 -31.54 46.39 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.929 -1.107 . . . . 0.0 109.182 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 102' ' ' TYR . 6.3 t80 -69.57 -39.79 77.15 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.167 -0.958 . . . . 0.0 108.687 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.74 87.68 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.34 -0.85 . . . . 0.0 110.002 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.49 -44.89 85.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.115 -0.991 . . . . 0.0 109.617 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -70.14 -41.81 73.4 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.164 -0.96 . . . . 0.0 109.177 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.74 -31.1 71.53 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.236 -0.915 . . . . 0.0 109.33 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.453 ' C ' ' H ' ' A' ' 109' ' ' GLN . 18.3 tm0? -71.95 -45.68 60.22 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.422 -0.799 . . . . 0.0 109.521 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.58 12.78 0.22 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.316 -0.865 . . . . 0.0 109.92 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.453 ' H ' ' C ' ' A' ' 107' ' ' GLN . 25.9 mt-30 45.38 32.66 1.09 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.289 -0.882 . . . . 0.0 110.368 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 64.2 mmt-85 -63.54 159.53 18.5 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.98 -1.075 . . . . 0.0 108.699 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' A' ' 111' ' ' GLU . 19.2 mp0 -81.55 -41.59 21.4 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.502 -0.749 . . . . 0.0 110.305 -179.398 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.643 HG22 ' HA ' ' A' ' 45' ' ' PRO . 34.9 p -134.4 177.18 7.96 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.029 -1.044 . . . . 0.0 110.265 -179.097 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.1 tt -139.05 141.01 28.53 Favored Pre-proline 0 N--CA 1.502 2.157 0 O-C-N 121.625 -0.672 . . . . 0.0 109.817 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.12 131.41 23.59 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 CA-C-N 120.006 1.038 . . . . 0.0 110.51 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.5 134.8 15.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.107 -0.996 . . . . 0.0 109.867 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -78.29 116.77 18.96 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.481 -0.762 . . . . 0.0 109.065 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 53.5 mt -79.14 137.65 37.56 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.061 -1.025 . . . . 0.0 109.5 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 58.5 t -130.43 104.76 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.45 126.28 26.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.317 -0.864 . . . . 0.0 108.75 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.6 m -135.19 -179.26 5.52 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.349 -0.845 . . . . 0.0 109.658 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.9 p -118.04 160.92 20.68 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.4 tp -54.73 -36.77 65.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.976 -1.077 . . . . 0.0 109.769 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 11.6 t -54.72 -46.25 74.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.877 -1.139 . . . . 0.0 109.325 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -55.23 -41.82 72.57 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.159 -0.963 . . . . 0.0 108.695 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 125' ' ' LEU . 6.7 tp -63.54 -31.77 73.03 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.068 -1.02 . . . . 0.0 109.229 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 130' ' ' GLY . 25.9 ttt85 -61.31 -37.9 84.89 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.678 -1.264 . . . . 0.0 108.832 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.3 t -57.85 -35.84 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -89.96 -48.67 7.06 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.295 -0.878 . . . . 0.0 110.749 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 131' ' ' ALA . 96.3 mt -115.15 44.07 1.89 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.471 -0.768 . . . . 0.0 110.019 -178.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -64.94 38.32 0.1 Allowed Glycine 0 N--CA 1.49 2.234 0 N-CA-C 110.391 -1.084 . . . . 0.0 110.391 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.53 -57.2 0.11 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.787 -1.419 . . . . 0.0 109.562 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 70.8 m -98.72 37.16 1.54 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.102 -0.999 . . . . 0.0 109.276 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.74 116.77 58.33 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.327 -0.858 . . . . 0.0 109.628 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -78.6 -178.83 4.92 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 121.805 1.67 . . . . 0.0 111.95 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -101.16 114.58 28.67 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 94.1 mt -81.94 136.85 35.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.402 -0.811 . . . . 0.0 110.525 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 117.899 -1.048 . . . . 0.0 109.084 179.239 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.77 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.81 -175.01 5.13 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.263 -0.898 . . . . 0.0 109.769 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.4 t -75.67 144.21 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.487 -0.758 . . . . 0.0 109.088 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -151.07 142.34 23.28 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.365 -0.835 . . . . 0.0 109.644 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -82.34 95.04 7.49 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.2 p -88.61 124.5 65.67 Favored Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 121.169 -0.957 . . . . 0.0 109.111 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.637 ' HA ' HG22 ' A' ' 112' ' ' THR . 71.5 Cg_exo -47.9 140.66 17.94 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 121.78 1.653 . . . . 0.0 113.464 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.66 -32.76 74.29 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.831 0.824 . . . . 0.0 109.417 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.2 p -62.25 -27.85 69.29 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.827 -0.546 . . . . 0.0 112.275 -177.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.0 m -101.62 25.28 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 120.833 -1.167 . . . . 0.0 111.462 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 49' ' ' LEU . 71.1 mt -89.62 131.28 35.7 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.67 -1.268 . . . . 0.0 108.525 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.1 mt -98.3 116.93 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.368 -0.832 . . . . 0.0 109.816 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -133.57 95.19 18.08 Favored Pre-proline 0 N--CA 1.499 1.98 0 O-C-N 121.527 -0.733 . . . . 0.0 109.801 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.667 ' O ' HD12 ' A' ' 53' ' ' LEU . 16.5 Cg_endo -98.28 32.67 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 123.195 2.597 . . . . 0.0 111.924 178.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 52' ' ' PRO . 1.2 mp -140.99 137.79 17.35 Favored Pre-proline 0 N--CA 1.5 2.027 0 O-C-N 121.044 -1.035 . . . . 0.0 108.969 -179.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -75.04 167.38 27.14 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.221 1.947 . . . . 0.0 111.853 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.8 m -155.58 160.12 40.22 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.109 -0.994 . . . . 0.0 109.893 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.459 ' O ' ' CG1' ' A' ' 56' ' ' VAL . 2.6 p -108.4 118.0 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.062 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.3 mt -98.12 145.71 26.3 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 122.277 1.037 . . . . 0.0 111.035 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -103.28 134.07 19.97 Favored Pre-proline 0 C--N 1.299 -1.611 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 178.819 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -75.4 -17.74 18.46 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 121.949 1.766 . . . . 0.0 113.199 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.541 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -87.07 -42.85 12.74 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.922 -1.111 . . . . 0.0 110.185 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -70.24 -31.38 68.76 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.217 -0.927 . . . . 0.0 109.786 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.65 -53.43 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.949 -1.094 . . . . 0.0 109.093 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.54 -39.17 72.96 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.201 -0.937 . . . . 0.0 108.786 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.5 t -61.41 -39.22 89.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.333 -0.854 . . . . 0.0 109.225 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 mt -73.36 -47.12 44.83 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.235 -0.916 . . . . 0.0 108.696 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.9 t -54.37 -35.02 29.45 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -76.05 -33.78 59.59 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.469 -0.77 . . . . 0.0 109.365 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.8 m -67.27 -51.37 53.67 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.213 -0.929 . . . . 0.0 109.258 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.547 ' CG2' HH12 ' A' ' 110' ' ' ARG . 15.5 mt -58.4 -40.9 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.402 -0.812 . . . . 0.0 109.227 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -76.68 -33.09 58.28 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.215 -0.928 . . . . 0.0 110.199 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -86.27 -36.23 19.48 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.915 -1.116 . . . . 0.0 110.027 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -158.53 100.53 1.69 Allowed Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.253 -0.904 . . . . 0.0 109.556 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.49 -9.0 22.48 Favored 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 121.505 1.47 . . . . 0.0 113.245 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.405 ' C ' ' H ' ' A' ' 76' ' ' VAL . 15.4 m-20 -86.23 -29.29 23.26 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.826 -1.171 . . . . 0.0 110.43 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 p -77.97 20.86 0.34 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.847 -1.158 . . . . 0.0 109.514 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.405 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.1 t -129.27 102.7 18.49 Favored Pre-proline 0 N--CA 1.498 1.959 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -76.91 162.36 32.29 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.833 1.688 . . . . 0.0 113.101 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.79 170.16 20.7 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.854 2.369 . . . . 0.0 112.039 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.654 ' CG2' ' HE ' ' A' ' 101' ' ' ARG . 7.7 pt -108.03 167.45 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.639 -0.663 . . . . 0.0 109.784 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -89.1 134.1 34.13 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 37.3 t -138.06 139.45 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.339 -0.851 . . . . 0.0 109.265 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.3 mt -86.92 133.15 33.63 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.401 -0.812 . . . . 0.0 109.849 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.44 ' NE1' ' OD1' ' A' ' 91' ' ' ASP . 11.3 t90 -110.78 111.36 22.48 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 84' ' ' ILE . 25.6 mt -129.28 145.76 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 121.369 -0.832 . . . . 0.0 109.863 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.501 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 38.8 mttp -108.57 157.14 18.75 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.616 0.722 . . . . 0.0 109.674 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.55 -168.19 31.22 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.41 -7.13 34.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.683 -0.892 . . . . 0.0 110.778 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -129.81 33.4 4.43 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.01 -1.056 . . . . 0.0 110.77 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.04 -14.26 3.91 Favored Glycine 0 N--CA 1.495 2.587 0 C-N-CA 120.234 -0.984 . . . . 0.0 111.301 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -47.86 108.4 0.34 Allowed Glycine 0 N--CA 1.487 2.037 0 O-C-N 120.849 -1.383 . . . . 0.0 109.693 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.501 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 7.1 m-20 -77.57 135.02 38.13 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.39 -1.065 . . . . 0.0 108.815 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 98.4 m-85 -128.64 126.63 40.58 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -103.08 123.0 45.83 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.227 -0.921 . . . . 0.0 110.356 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -108.2 126.39 52.74 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.794 -0.566 . . . . 0.0 109.483 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.75 119.44 36.04 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.146 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -120.02 86.27 2.53 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 177.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 136.0 -151.83 20.85 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 108.389 -1.885 . . . . 0.0 108.389 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.76 15.29 0.1 OUTLIER Glycine 0 N--CA 1.494 2.507 0 O-C-N 121.173 -1.193 . . . . 0.0 110.132 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' A' ' 97' ' ' GLY . 5.3 m -51.23 -48.88 61.98 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -1.187 . . . . 0.0 110.125 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -66.18 -54.33 26.58 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.122 -0.986 . . . . 0.0 109.994 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.654 ' HE ' ' CG2' ' A' ' 79' ' ' ILE . 80.2 mtm-85 -53.62 -30.76 44.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.961 -1.087 . . . . 0.0 109.578 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -65.79 -43.7 87.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.025 -1.047 . . . . 0.0 108.729 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.14 96.96 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.289 -0.882 . . . . 0.0 109.626 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.3 -48.07 81.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.173 -0.954 . . . . 0.0 109.683 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -66.9 -42.53 85.32 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.165 -0.96 . . . . 0.0 108.888 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.43 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -62.55 -44.56 96.03 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.297 -0.877 . . . . 0.0 109.052 179.782 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.479 ' C ' ' H ' ' A' ' 109' ' ' GLN . 18.2 tm0? -59.46 -46.12 89.68 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.497 -0.752 . . . . 0.0 109.692 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.28 9.11 0.36 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.187 -0.946 . . . . 0.0 109.589 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 107' ' ' GLN . 17.1 tp60 48.0 37.66 8.08 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.275 -0.891 . . . . 0.0 109.874 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.547 HH12 ' CG2' ' A' ' 69' ' ' ILE . 22.2 mmt85 -73.57 154.18 39.91 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.076 -1.015 . . . . 0.0 108.54 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -78.76 -41.55 30.37 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.321 -0.862 . . . . 0.0 110.351 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.637 HG22 ' HA ' ' A' ' 45' ' ' PRO . 36.4 p -132.1 177.49 7.52 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.093 -1.005 . . . . 0.0 110.675 -178.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.7 tt -139.0 141.52 30.39 Favored Pre-proline 0 N--CA 1.501 2.114 0 O-C-N 121.725 -0.609 . . . . 0.0 109.745 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -68.29 130.78 21.9 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 CA-C-N 120.042 1.051 . . . . 0.0 110.706 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -149.86 134.13 17.27 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.224 -0.923 . . . . 0.0 109.575 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -78.88 112.19 15.8 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.483 -0.761 . . . . 0.0 108.96 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 57.3 mt -74.3 138.98 43.91 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.033 -1.042 . . . . 0.0 108.745 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 57.2 t -135.07 103.85 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.458 -0.776 . . . . 0.0 109.303 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.608 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.5 mp0 -46.07 135.98 7.08 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.273 -0.892 . . . . 0.0 109.609 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -143.89 -179.07 6.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.248 -0.908 . . . . 0.0 109.444 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.7 p -128.18 160.62 31.48 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.603 -0.686 . . . . 0.0 109.276 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.3 tp -54.7 -33.7 61.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.162 -0.961 . . . . 0.0 109.703 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.7 t -55.9 -44.2 78.01 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.948 -1.095 . . . . 0.0 109.463 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -58.69 -41.47 86.33 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.038 -1.039 . . . . 0.0 108.899 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.46 -38.35 89.47 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.044 -1.035 . . . . 0.0 109.136 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 130' ' ' GLY . 18.8 ttp180 -58.73 -37.56 76.44 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.051 -1.031 . . . . 0.0 108.743 179.232 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 83.3 t -56.7 -34.71 43.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.086 -1.009 . . . . 0.0 108.509 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -90.54 -48.37 7.13 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.282 -0.886 . . . . 0.0 110.833 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 131' ' ' ALA . 80.0 mt -115.98 44.19 1.98 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.444 -0.785 . . . . 0.0 110.317 -178.187 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -65.1 39.36 0.11 Allowed Glycine 0 N--CA 1.49 2.255 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.36 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.74 -57.2 0.13 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.845 -1.386 . . . . 0.0 109.483 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.2 p -99.7 35.79 1.93 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.158 -0.964 . . . . 0.0 109.288 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.8 118.52 70.92 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.303 -0.873 . . . . 0.0 109.788 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -80.48 -175.12 2.54 Favored 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 121.928 1.752 . . . . 0.0 111.291 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -105.0 128.33 53.26 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.749 0.785 . . . . 0.0 108.929 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.9 mt -89.64 137.67 32.13 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 121.485 0.659 . . . . 0.0 110.247 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 N--CA 1.497 1.895 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.315 179.785 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.236 0.541 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -138.74 -175.06 4.0 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.359 -0.838 . . . . 0.0 109.355 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.6 t -75.47 143.29 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.388 -0.82 . . . . 0.0 109.292 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -151.88 142.24 22.49 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.353 -0.842 . . . . 0.0 109.628 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -81.15 96.26 7.15 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.2 p -90.64 125.64 58.77 Favored Pre-proline 0 N--CA 1.498 1.975 0 O-C-N 121.182 -0.948 . . . . 0.0 109.052 -179.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.639 ' HA ' HG22 ' A' ' 112' ' ' THR . 75.4 Cg_exo -47.92 141.01 17.5 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 121.869 1.713 . . . . 0.0 113.677 -179.273 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mt -66.81 -33.57 75.9 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.876 0.846 . . . . 0.0 109.369 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.1 p -60.95 -27.59 68.36 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.838 -0.539 . . . . 0.0 112.175 -177.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 m -102.59 25.85 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 120.847 -1.158 . . . . 0.0 111.545 -178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 49' ' ' LEU . 72.5 mt -91.38 127.61 36.88 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.674 -1.266 . . . . 0.0 108.672 178.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.0 mt -96.46 119.19 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.262 -0.899 . . . . 0.0 110.397 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -133.85 95.15 17.61 Favored Pre-proline 0 N--CA 1.494 1.729 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -97.96 27.97 0.17 Allowed 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 122.965 2.443 . . . . 0.0 111.679 178.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 53' ' ' LEU . 14.2 tp -142.48 87.8 9.13 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.266 -0.896 . . . . 0.0 109.649 -178.395 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -47.79 169.28 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.551 2.167 . . . . 0.0 112.339 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -156.85 165.52 35.97 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.919 . . . . 0.0 109.816 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.484 ' O ' HG13 ' A' ' 56' ' ' VAL . 2.8 p -96.98 117.84 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.3 mt -100.46 146.14 27.4 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 122.14 0.971 . . . . 0.0 110.865 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -101.2 132.85 21.4 Favored Pre-proline 0 C--N 1.299 -1.626 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 178.867 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -75.6 -17.07 18.55 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 121.975 1.783 . . . . 0.0 113.193 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.529 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -86.97 -43.1 12.62 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.983 -1.073 . . . . 0.0 110.012 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.415 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 6.3 tttm -70.08 -31.53 69.16 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.24 -0.912 . . . . 0.0 109.797 -179.301 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.73 -50.68 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.911 -1.118 . . . . 0.0 108.997 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -51.16 -46.75 62.16 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.238 -0.914 . . . . 0.0 109.211 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.5 t -53.53 -40.9 65.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.271 -0.893 . . . . 0.0 109.313 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.587 ' CD2' HH21 ' A' ' 101' ' ' ARG . 5.1 mt -69.23 -46.33 67.61 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.5 t -55.35 -30.37 25.22 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.93 -35.74 59.63 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.484 -0.76 . . . . 0.0 109.875 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.1 m -68.0 -46.69 70.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.07 -1.019 . . . . 0.0 109.298 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.4 mt -62.96 -39.5 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.405 -0.809 . . . . 0.0 109.318 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 -76.87 -34.93 57.77 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.251 -0.906 . . . . 0.0 110.255 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -87.07 -35.27 18.81 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.892 -1.13 . . . . 0.0 110.43 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -155.81 96.53 2.35 Favored Pre-proline 0 N--CA 1.493 1.707 0 O-C-N 121.092 -1.005 . . . . 0.0 109.743 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.71 -3.33 13.73 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 121.588 1.526 . . . . 0.0 112.88 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -91.19 -30.04 16.89 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.921 -1.112 . . . . 0.0 110.843 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.0 m -81.96 22.43 0.78 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.669 -1.27 . . . . 0.0 109.571 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.84 104.11 47.33 Favored Pre-proline 0 N--CA 1.498 1.973 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -75.67 162.23 35.68 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 121.744 1.629 . . . . 0.0 113.045 -178.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.3 172.29 16.62 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.903 2.402 . . . . 0.0 112.187 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 pt -112.12 165.54 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -87.24 134.15 33.58 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.262 -0.899 . . . . 0.0 108.857 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.6 t -137.68 138.14 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.354 -0.841 . . . . 0.0 109.395 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.9 mt -87.33 137.75 32.07 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.537 -0.727 . . . . 0.0 110.008 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -114.8 108.42 16.73 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.405 HG21 HD13 ' A' ' 84' ' ' ILE . 29.0 mt -126.24 146.03 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.366 -0.834 . . . . 0.0 109.957 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.74 ' HZ1' ' CG ' ' A' ' 91' ' ' ASP . 34.6 mttp -108.71 157.21 18.75 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 121.669 0.747 . . . . 0.0 109.788 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.23 -164.5 29.75 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.06 -7.14 44.34 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.635 -0.92 . . . . 0.0 110.9 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.431 ' C ' ' H ' ' A' ' 90' ' ' GLY . 36.9 mt-30 -130.47 40.19 3.54 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 121.025 -1.047 . . . . 0.0 110.666 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.89 -10.33 0.35 Allowed Glycine 0 N--CA 1.495 2.577 0 O-C-N 121.214 -0.929 . . . . 0.0 111.732 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.539 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.04 108.82 0.39 Allowed Glycine 0 N--CA 1.487 2.036 0 O-C-N 120.758 -1.437 . . . . 0.0 109.51 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.74 ' CG ' ' HZ1' ' A' ' 85' ' ' LYS . 3.8 m-20 -76.49 130.92 38.64 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.458 -1.025 . . . . 0.0 109.21 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.539 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 94.2 m-85 -127.98 124.92 38.43 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -100.18 117.24 34.01 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.203 -0.936 . . . . 0.0 110.084 -178.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -103.98 134.1 47.82 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.63 133.33 52.27 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.531 -0.73 . . . . 0.0 109.225 179.079 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -132.5 90.15 2.75 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 178.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 136.52 -159.86 24.59 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 107.838 -2.105 . . . . 0.0 107.838 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.34 25.2 1.16 Allowed Glycine 0 N--CA 1.495 2.582 0 O-C-N 121.107 -1.231 . . . . 0.0 110.321 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.5 m -61.76 -56.61 17.68 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.067 -1.255 . . . . 0.0 109.877 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -60.22 -37.6 80.8 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.128 -0.983 . . . . 0.0 109.766 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.587 HH21 ' CD2' ' A' ' 65' ' ' LEU . 11.7 ttm180 -67.66 -29.92 69.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.894 -1.129 . . . . 0.0 109.477 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -66.3 -43.01 87.47 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.015 -1.053 . . . . 0.0 108.861 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.19 -45.22 91.64 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.354 -0.842 . . . . 0.0 109.717 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.66 -40.73 84.31 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.145 -0.972 . . . . 0.0 109.286 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -72.08 -42.88 65.65 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.227 -0.921 . . . . 0.0 109.016 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -61.14 -51.25 69.86 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 121.176 -0.953 . . . . 0.0 109.467 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -54.64 -40.99 69.54 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.395 -0.815 . . . . 0.0 109.878 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.7 mt -72.96 7.0 2.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 109.586 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 47.09 35.3 3.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.299 -0.875 . . . . 0.0 110.0 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -69.39 156.8 38.23 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.081 -1.012 . . . . 0.0 108.618 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -82.04 -42.14 19.69 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.352 -0.842 . . . . 0.0 110.581 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.639 HG22 ' HA ' ' A' ' 45' ' ' PRO . 33.5 p -134.29 177.2 7.94 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.016 -1.053 . . . . 0.0 110.408 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.6 tt -140.25 141.22 25.53 Favored Pre-proline 0 N--CA 1.502 2.171 0 O-C-N 121.661 -0.649 . . . . 0.0 109.867 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -67.82 131.06 23.18 Favored 'Trans proline' 0 N--CA 1.492 1.407 0 C-N-CA 120.9 1.066 . . . . 0.0 110.646 177.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.12 133.79 13.79 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.162 -0.961 . . . . 0.0 109.526 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -77.78 120.4 22.62 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.371 -0.831 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 55.8 mt -78.54 134.64 37.24 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.165 -0.96 . . . . 0.0 108.958 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 28.1 t -126.16 105.66 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.553 ' NE2' ' N ' ' A' ' 120' ' ' SER . 0.0 OUTLIER -55.84 126.13 24.33 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 118.914 -1.115 . . . . 0.0 108.006 179.246 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.553 ' N ' ' NE2' ' A' ' 119' ' ' GLN . 5.6 m -133.47 -178.37 4.96 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.284 -0.885 . . . . 0.0 109.927 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.1 p -126.72 160.85 29.61 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.47 -0.769 . . . . 0.0 109.299 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.6 tp -54.34 -33.63 59.41 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.922 -1.111 . . . . 0.0 109.481 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.0 m -55.92 -43.21 77.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.946 -1.096 . . . . 0.0 109.206 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -57.71 -42.07 82.99 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.058 -1.026 . . . . 0.0 108.58 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.61 -32.77 74.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.126 -0.984 . . . . 0.0 109.473 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -32.22 73.7 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.776 -1.202 . . . . 0.0 108.767 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.63 -34.55 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 O-C-N 121.008 -1.058 . . . . 0.0 108.451 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -90.37 -47.77 7.53 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.278 -0.889 . . . . 0.0 110.679 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 131' ' ' ALA . 58.9 mt -118.09 46.65 1.74 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.574 -0.704 . . . . 0.0 110.223 -178.089 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.57 38.34 0.1 OUTLIER Glycine 0 N--CA 1.49 2.283 0 C-N-CA 119.939 -1.124 . . . . 0.0 110.345 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -155.65 -54.1 0.09 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.852 -1.381 . . . . 0.0 109.446 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.4 m -99.58 36.48 1.77 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.153 -0.967 . . . . 0.0 109.42 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.91 117.86 68.54 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.288 -0.882 . . . . 0.0 109.481 -179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -80.4 -175.06 2.5 Favored 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.974 1.783 . . . . 0.0 111.596 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -104.02 128.61 51.6 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.739 0.78 . . . . 0.0 108.979 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.9 mt -91.39 138.7 31.37 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-O 121.506 0.67 . . . . 0.0 110.401 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 N--CA 1.496 1.858 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.275 179.764 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.842 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.48 -175.12 4.65 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.213 -0.929 . . . . 0.0 109.559 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.6 t -75.58 143.45 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.444 -0.785 . . . . 0.0 109.192 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -151.5 143.0 23.55 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.37 -0.831 . . . . 0.0 109.651 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -82.41 96.14 7.88 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.1 p -89.74 125.11 62.12 Favored Pre-proline 0 N--CA 1.498 1.953 0 O-C-N 121.139 -0.976 . . . . 0.0 109.126 -179.192 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.638 ' HA ' HG22 ' A' ' 112' ' ' THR . 73.0 Cg_exo -48.31 140.36 20.56 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 121.756 1.637 . . . . 0.0 113.55 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -66.45 -32.21 73.43 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.802 0.81 . . . . 0.0 109.298 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.4 p -62.28 -27.25 68.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.871 -0.518 . . . . 0.0 112.308 -177.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.4 m -103.09 25.81 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.26 0 O-C-N 120.778 -1.202 . . . . 0.0 111.467 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 49' ' ' LEU . 70.0 mt -90.07 138.36 31.58 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.646 -1.284 . . . . 0.0 108.512 178.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.6 mt -105.97 116.79 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.49 -0.756 . . . . 0.0 109.867 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -133.38 96.26 17.32 Favored Pre-proline 0 N--CA 1.495 1.814 0 O-C-N 121.634 -0.666 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -96.92 28.55 0.19 Allowed 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 122.97 2.447 . . . . 0.0 111.551 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tt -140.28 105.33 6.59 Favored Pre-proline 0 N--CA 1.498 1.945 0 O-C-N 121.311 -0.868 . . . . 0.0 109.476 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.53 165.25 30.89 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 121.502 1.468 . . . . 0.0 112.009 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 m -153.94 167.79 28.57 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.996 -1.065 . . . . 0.0 109.958 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.7 t -95.32 109.46 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 72.6 mt -88.37 146.62 25.16 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.117 0.961 . . . . 0.0 110.87 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -96.9 131.69 27.37 Favored Pre-proline 0 C--N 1.298 -1.66 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -75.75 -16.69 18.47 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 121.998 1.799 . . . . 0.0 113.132 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.535 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -86.8 -43.15 12.73 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.003 -1.061 . . . . 0.0 109.999 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -70.1 -31.74 69.45 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.226 -0.921 . . . . 0.0 109.687 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.49 -35.96 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.952 -1.093 . . . . 0.0 109.125 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -66.08 -38.72 88.99 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.157 -0.965 . . . . 0.0 108.743 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.7 t -61.47 -37.76 84.77 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.27 -0.894 . . . . 0.0 109.276 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mt -73.25 -46.66 48.73 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.1 t -55.67 -30.04 26.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -76.2 -38.76 56.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.558 -0.714 . . . . 0.0 109.561 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.9 m -64.31 -51.35 63.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.374 -0.829 . . . . 0.0 109.332 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.6 mt -58.55 -40.69 79.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.414 -0.804 . . . . 0.0 109.338 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.614 ' HE ' ' CD2' ' A' ' 108' ' ' LEU . 50.6 mtt-85 -77.03 -31.67 56.47 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.258 -0.901 . . . . 0.0 110.396 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -87.26 -36.74 17.75 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.86 -1.15 . . . . 0.0 110.066 -179.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -155.68 94.26 2.54 Favored Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.233 -0.917 . . . . 0.0 109.667 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.13 -13.54 28.58 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.54 1.493 . . . . 0.0 113.189 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -93.08 2.01 56.95 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.815 -1.178 . . . . 0.0 110.047 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.3 t -106.47 19.31 20.69 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.313 -0.867 . . . . 0.0 109.518 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.9 t -124.22 115.5 27.37 Favored Pre-proline 0 N--CA 1.501 2.104 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -75.34 162.34 36.4 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 121.675 1.584 . . . . 0.0 113.141 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.53 170.56 19.7 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.802 2.335 . . . . 0.0 112.087 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.411 HG22 ' NH2' ' A' ' 101' ' ' ARG . 7.4 pt -109.78 167.38 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.696 -0.627 . . . . 0.0 109.508 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -90.35 137.0 32.71 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.275 -0.89 . . . . 0.0 108.797 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.1 t -138.28 138.58 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.33 -0.856 . . . . 0.0 109.576 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.9 mt -86.86 132.64 33.77 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.441 -0.787 . . . . 0.0 109.184 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -113.43 111.93 22.77 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.414 HG21 HD13 ' A' ' 84' ' ' ILE . 21.2 mt -128.64 145.0 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.45 -0.781 . . . . 0.0 109.933 -178.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.529 ' HZ1' ' CG ' ' A' ' 91' ' ' ASP . 5.0 tttp -105.25 156.89 17.7 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.633 -0.667 . . . . 0.0 109.512 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.37 -168.81 31.57 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.49 -7.89 50.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.659 -0.906 . . . . 0.0 111.013 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -126.09 25.7 6.67 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.054 -1.029 . . . . 0.0 110.554 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.443 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 80.62 -12.72 32.88 Favored Glycine 0 N--CA 1.494 2.501 0 O-C-N 121.074 -1.016 . . . . 0.0 111.173 178.492 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.524 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -51.02 111.15 1.16 Allowed Glycine 0 N--CA 1.485 1.962 0 O-C-N 120.913 -1.346 . . . . 0.0 109.738 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.529 ' CG ' ' HZ1' ' A' ' 85' ' ' LYS . 3.9 m-20 -77.32 133.61 38.72 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.364 -1.08 . . . . 0.0 109.098 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.524 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.0 m-85 -127.89 123.75 35.77 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -99.68 121.3 41.03 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.217 -0.927 . . . . 0.0 110.122 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -109.34 130.33 55.5 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.56 130.36 53.47 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -129.19 89.83 2.92 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 134.23 -160.37 24.12 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 108.017 -2.033 . . . . 0.0 108.017 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.76 26.78 1.98 Allowed Glycine 0 N--CA 1.493 2.481 0 O-C-N 121.151 -1.205 . . . . 0.0 110.233 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.2 m -63.95 -57.05 10.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.035 -1.273 . . . . 0.0 110.308 -179.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -56.3 -36.55 68.78 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.975 -1.078 . . . . 0.0 109.705 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.411 ' NH2' HG22 ' A' ' 79' ' ' ILE . 39.2 mtm180 -69.26 -30.9 69.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.951 -1.093 . . . . 0.0 109.59 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -65.23 -42.99 92.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.898 -1.126 . . . . 0.0 108.412 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.21 89.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.367 -0.833 . . . . 0.0 109.571 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.3 93.07 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.143 -0.973 . . . . 0.0 109.413 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -68.28 -42.71 79.12 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.174 -0.954 . . . . 0.0 108.817 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -61.6 -47.56 84.9 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.295 -0.878 . . . . 0.0 109.387 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -58.03 -42.34 85.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.358 -0.839 . . . . 0.0 109.946 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.614 ' CD2' ' HE ' ' A' ' 70' ' ' ARG . 99.9 mt -73.34 7.79 2.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.111 -0.993 . . . . 0.0 109.514 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 45.79 40.78 6.82 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.346 -0.846 . . . . 0.0 110.087 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 72.0 mmt-85 -73.97 159.4 32.79 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.013 -1.054 . . . . 0.0 108.652 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -82.26 -42.53 18.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.381 -0.824 . . . . 0.0 110.305 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.638 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.1 p -134.35 177.22 7.93 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.021 -1.049 . . . . 0.0 110.615 -178.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -140.32 141.26 25.44 Favored Pre-proline 0 N--CA 1.502 2.156 0 O-C-N 121.72 -0.613 . . . . 0.0 109.8 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -67.41 131.72 25.51 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 120.935 1.09 . . . . 0.0 110.858 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.8 133.47 13.86 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.22 -0.925 . . . . 0.0 109.54 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.408 ' HB3' ' HZ2' ' A' ' 116' ' ' LYS . 1.6 ttpp -77.55 114.22 16.17 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.444 -0.785 . . . . 0.0 108.98 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 61.0 mt -74.08 137.83 43.58 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.012 -1.055 . . . . 0.0 109.164 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.3 t -133.84 101.73 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.03 128.01 28.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.268 -0.895 . . . . 0.0 108.919 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.5 m -133.79 -178.3 4.95 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.413 -0.804 . . . . 0.0 109.591 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.7 p -122.61 160.9 24.77 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.544 -0.723 . . . . 0.0 109.381 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.7 tp -55.91 -35.72 66.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.031 -1.043 . . . . 0.0 109.72 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 69.8 m -55.4 -38.06 68.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.928 -1.107 . . . . 0.0 109.584 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -64.85 -44.68 88.97 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.006 -1.059 . . . . 0.0 108.601 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.0 tp -59.27 -39.11 81.85 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.075 -1.016 . . . . 0.0 109.037 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 130' ' ' GLY . 1.0 OUTLIER -56.3 -40.93 75.12 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.229 -0.919 . . . . 0.0 108.82 179.206 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 97.7 t -53.44 -33.56 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.075 -1.015 . . . . 0.0 108.481 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -90.37 -48.58 7.04 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.28 -0.887 . . . . 0.0 111.008 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 131' ' ' ALA . 75.5 mt -116.96 44.28 2.1 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.451 -0.78 . . . . 0.0 110.758 -177.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -64.14 39.54 0.09 OUTLIER Glycine 0 N--CA 1.489 2.186 0 C-N-CA 119.798 -1.191 . . . . 0.0 110.548 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.97 -58.05 0.13 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.813 -1.404 . . . . 0.0 109.458 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 34.1 m -99.43 37.72 1.53 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.121 -0.987 . . . . 0.0 109.245 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -76.8 119.42 77.37 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 109.879 -179.305 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -80.56 -174.87 2.42 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.971 1.781 . . . . 0.0 111.266 178.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -106.09 128.9 54.19 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.717 0.77 . . . . 0.0 109.01 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 92.5 mt -88.53 136.35 33.03 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-O 121.43 0.633 . . . . 0.0 110.264 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 . . . . . 0 N--CA 1.496 1.828 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.187 179.714 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.42 -175.11 4.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.228 -0.92 . . . . 0.0 109.615 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.1 t -82.55 143.8 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.468 -0.77 . . . . 0.0 109.085 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -148.35 162.22 39.98 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.29 -0.881 . . . . 0.0 109.729 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -99.31 94.43 6.45 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.1 p -87.63 127.02 59.89 Favored Pre-proline 0 N--CA 1.497 1.915 0 O-C-N 121.285 -0.884 . . . . 0.0 109.406 -178.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.646 ' HA ' HG22 ' A' ' 112' ' ' THR . 75.4 Cg_exo -47.96 140.44 18.61 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 121.761 1.64 . . . . 0.0 113.592 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mt -66.72 -32.36 73.61 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.783 0.801 . . . . 0.0 109.331 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.9 p -61.67 -28.21 69.23 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.824 -0.547 . . . . 0.0 112.214 -177.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.0 m -101.45 25.43 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 O-C-N 120.871 -1.143 . . . . 0.0 111.469 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.486 HD13 HH12 ' A' ' 51' ' ' ARG . 72.7 mt -91.76 127.54 37.25 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.663 -1.273 . . . . 0.0 108.71 178.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.7 mt -96.89 118.61 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.365 -0.834 . . . . 0.0 110.503 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.486 HH12 HD13 ' A' ' 49' ' ' LEU . 78.1 mtt85 -134.06 94.78 17.73 Favored Pre-proline 0 N--CA 1.495 1.794 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.115 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -97.68 28.19 0.18 Allowed 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 123.025 2.483 . . . . 0.0 112.132 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 53' ' ' LEU . 7.8 tp -138.9 105.23 7.41 Favored Pre-proline 0 N--CA 1.5 2.047 0 O-C-N 121.291 -0.881 . . . . 0.0 109.899 -178.253 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -49.36 169.76 0.1 Allowed 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 121.971 1.78 . . . . 0.0 112.309 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.3 m -156.42 163.55 39.32 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.21 -0.931 . . . . 0.0 109.715 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.4 t -106.14 113.44 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.6 mt -97.13 146.05 25.41 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 122.205 1.002 . . . . 0.0 111.068 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -103.01 133.45 20.34 Favored Pre-proline 0 C--N 1.299 -1.6 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 178.588 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -75.62 -17.22 18.4 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 121.942 1.762 . . . . 0.0 113.246 -178.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.539 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -87.03 -44.15 11.79 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.933 -1.104 . . . . 0.0 110.033 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -68.62 -31.74 71.12 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.175 -0.953 . . . . 0.0 109.8 -179.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.6 t -68.08 -35.63 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.915 -1.116 . . . . 0.0 108.959 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -65.85 -36.06 82.39 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.7 t -65.98 -37.58 86.33 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.284 -0.885 . . . . 0.0 109.49 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 mt -77.0 -43.69 33.82 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.134 -0.979 . . . . 0.0 108.79 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.15 -33.17 29.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -77.1 -35.71 56.19 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.399 -0.813 . . . . 0.0 109.788 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.4 m -66.44 -51.33 57.98 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.139 -0.975 . . . . 0.0 109.391 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.0 mt -57.57 -40.71 76.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.366 -0.834 . . . . 0.0 109.18 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.444 ' NE ' HD22 ' A' ' 108' ' ' LEU . 62.2 mtt180 -76.5 -32.46 58.32 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.286 -0.884 . . . . 0.0 110.211 -179.499 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -85.36 -36.46 20.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.835 -1.165 . . . . 0.0 109.801 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -159.04 102.49 1.57 Allowed Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.321 -0.862 . . . . 0.0 109.41 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.41 -20.65 31.49 Favored 'Trans proline' 0 N--CA 1.499 1.805 0 C-N-CA 121.439 1.426 . . . . 0.0 113.452 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -83.47 -23.02 32.39 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.774 -1.204 . . . . 0.0 110.346 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.7 m -75.79 14.17 0.7 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.011 -1.056 . . . . 0.0 110.121 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 t -125.18 95.33 41.77 Favored Pre-proline 0 N--CA 1.501 2.078 0 O-C-N 121.452 -0.78 . . . . 0.0 109.215 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.27 156.51 7.83 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 122.641 2.228 . . . . 0.0 112.618 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -74.3 170.97 19.0 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.687 2.258 . . . . 0.0 111.682 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.445 HG22 ' NH2' ' A' ' 101' ' ' ARG . 7.6 pt -108.97 167.02 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.609 -0.682 . . . . 0.0 109.466 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -91.22 140.09 30.13 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.176 -0.952 . . . . 0.0 108.737 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.7 t -140.04 139.2 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.505 -0.747 . . . . 0.0 109.601 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.3 mt -87.39 124.71 33.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.431 -0.793 . . . . 0.0 109.505 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -103.38 112.13 24.88 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.416 HD13 HG21 ' A' ' 84' ' ' ILE . 30.6 mt -128.43 146.32 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.285 -0.884 . . . . 0.0 109.93 -178.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.516 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 27.5 mttp -108.0 157.37 18.29 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 121.595 0.712 . . . . 0.0 109.55 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.51 -170.36 31.68 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.25 -7.15 28.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.698 -0.883 . . . . 0.0 110.79 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -129.23 32.3 4.72 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.113 -0.992 . . . . 0.0 110.634 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.85 -13.44 4.22 Favored Glycine 0 N--CA 1.495 2.603 0 O-C-N 121.09 -1.006 . . . . 0.0 111.234 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -47.83 109.51 0.48 Allowed Glycine 0 N--CA 1.487 2.057 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.516 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 5.9 m-20 -76.96 133.24 39.26 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.507 -0.996 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 96.7 m-85 -128.71 127.53 42.29 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -102.92 115.51 30.74 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.248 -0.907 . . . . 0.0 110.17 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -103.5 134.0 47.59 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.08 134.01 51.51 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.503 -0.748 . . . . 0.0 109.118 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -132.88 90.42 2.76 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 133.93 -158.9 23.54 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 108.027 -2.029 . . . . 0.0 108.027 -179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.71 25.91 1.65 Allowed Glycine 0 N--CA 1.494 2.535 0 O-C-N 121.138 -1.213 . . . . 0.0 110.326 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.8 m -63.5 -56.69 14.11 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.073 -1.251 . . . . 0.0 110.07 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -55.41 -39.83 70.7 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.032 -1.042 . . . . 0.0 109.773 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.445 ' NH2' HG22 ' A' ' 79' ' ' ILE . 40.4 mtm180 -67.68 -31.33 71.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.945 -1.097 . . . . 0.0 109.464 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -65.81 -42.77 90.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.949 -1.094 . . . . 0.0 108.478 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.98 -40.36 84.59 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.307 -0.871 . . . . 0.0 109.669 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.05 87.92 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.161 -0.962 . . . . 0.0 109.559 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -70.01 -41.57 74.15 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.151 -0.968 . . . . 0.0 109.207 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.537 ' OE1' ' N ' ' A' ' 107' ' ' GLN . 3.0 tm0? -68.45 -39.08 81.6 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.23 -0.919 . . . . 0.0 108.819 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.537 ' N ' ' OE1' ' A' ' 106' ' ' GLN . 9.7 tm0? -62.73 -41.62 99.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.601 -0.687 . . . . 0.0 109.365 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.444 HD22 ' NE ' ' A' ' 70' ' ' ARG . 96.5 mt -76.65 11.34 1.7 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.255 -0.903 . . . . 0.0 109.629 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 46.17 46.65 13.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.336 -0.853 . . . . 0.0 110.314 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -79.96 159.75 26.18 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.988 -1.07 . . . . 0.0 108.527 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -82.02 -43.21 18.27 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.392 -0.818 . . . . 0.0 110.192 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.646 HG22 ' HA ' ' A' ' 45' ' ' PRO . 39.5 p -134.16 177.72 7.53 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.043 -1.036 . . . . 0.0 110.368 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.6 tt -139.76 141.84 29.19 Favored Pre-proline 0 N--CA 1.503 2.207 0 O-C-N 121.629 -0.67 . . . . 0.0 109.794 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -68.5 135.12 32.68 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 CA-C-N 120.088 1.067 . . . . 0.0 110.499 177.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.03 133.37 11.8 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.241 -0.912 . . . . 0.0 109.53 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.4 tttm -77.0 118.55 19.69 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.316 -0.865 . . . . 0.0 109.064 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 47.7 mt -79.23 137.28 37.34 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.217 -0.927 . . . . 0.0 108.609 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 75.4 t -136.7 103.9 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.434 -0.791 . . . . 0.0 109.463 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.608 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -46.47 130.24 10.96 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.256 -0.902 . . . . 0.0 109.53 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.4 m -136.13 -178.45 5.16 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.43 -0.794 . . . . 0.0 109.15 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.0 p -129.43 164.05 24.5 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.44 -0.788 . . . . 0.0 109.585 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 23.4 tp -57.22 -35.55 69.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.999 -1.063 . . . . 0.0 109.621 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.7 m -54.19 -45.06 72.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.91 -1.119 . . . . 0.0 109.237 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -55.43 -43.59 75.5 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 120.967 -1.083 . . . . 0.0 108.3 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.4 tp -63.29 -32.52 73.96 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.105 -0.997 . . . . 0.0 109.512 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -65.03 -26.8 68.42 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.675 -1.265 . . . . 0.0 109.155 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 57.6 t -67.6 -33.57 62.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.301 0 O-C-N 120.995 -1.066 . . . . 0.0 108.227 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -90.95 -47.17 7.74 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.351 -0.843 . . . . 0.0 110.864 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.551 ' O ' ' N ' ' A' ' 131' ' ' ALA . 59.0 mt -119.27 46.15 1.96 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.449 -0.782 . . . . 0.0 110.446 -177.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.02 38.74 0.11 Allowed Glycine 0 N--CA 1.49 2.263 0 C-N-CA 119.767 -1.206 . . . . 0.0 110.294 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.2 -54.46 0.1 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.842 -1.387 . . . . 0.0 109.427 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 18.5 m -100.06 35.48 2.05 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.226 -0.921 . . . . 0.0 109.346 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.73 118.57 72.63 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.291 -0.88 . . . . 0.0 109.479 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -78.88 -174.88 2.46 Favored 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 121.907 1.738 . . . . 0.0 111.63 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -105.81 119.88 40.3 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 96.1 mt -82.11 137.79 34.92 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.555 -0.716 . . . . 0.0 110.467 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 N--CA 1.498 1.932 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.363 179.848 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.823 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -148.3 -174.18 4.52 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.322 -0.861 . . . . 0.0 109.409 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.8 t -74.34 142.81 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.392 -0.818 . . . . 0.0 108.891 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -149.62 147.56 28.27 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.391 -0.818 . . . . 0.0 109.777 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -85.89 94.64 9.22 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.1 p -87.84 124.44 67.21 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.099 -1.0 . . . . 0.0 109.093 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.639 ' HA ' HG22 ' A' ' 112' ' ' THR . 71.0 Cg_exo -48.05 140.3 19.25 Favored 'Trans proline' 0 N--CA 1.499 1.852 0 C-N-CA 121.766 1.644 . . . . 0.0 113.445 -179.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.57 -31.24 71.82 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.38 -0.825 . . . . 0.0 109.314 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 p -62.88 -27.93 69.69 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.825 -0.547 . . . . 0.0 112.259 -177.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 m -102.07 23.5 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.247 0 O-C-N 120.755 -1.216 . . . . 0.0 111.397 -178.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.7 mt -91.38 124.24 35.42 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.699 -1.251 . . . . 0.0 108.839 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.2 mt -91.09 120.49 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.478 -0.764 . . . . 0.0 110.29 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.3 mtt-85 -134.88 93.64 17.37 Favored Pre-proline 0 N--CA 1.497 1.915 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -99.31 28.95 0.13 Allowed 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 123.063 2.509 . . . . 0.0 112.276 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.3 tp -138.4 104.26 7.83 Favored Pre-proline 0 N--CA 1.501 2.102 0 O-C-N 121.26 -0.9 . . . . 0.0 109.769 -178.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.32 169.44 0.15 Allowed 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 121.812 1.674 . . . . 0.0 112.176 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.6 m -158.54 163.16 37.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.953 . . . . 0.0 109.753 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.2 t -105.65 110.45 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.9 mt -92.27 145.87 24.15 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.14 -0.975 . . . . 0.0 110.933 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -101.47 134.34 20.32 Favored Pre-proline 0 C--N 1.298 -1.668 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 178.85 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -75.23 -20.14 16.7 Favored 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 122.071 1.847 . . . . 0.0 113.071 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.541 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.09 -44.96 12.54 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.983 -1.073 . . . . 0.0 110.266 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.42 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -67.85 -31.4 71.21 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.181 -0.95 . . . . 0.0 109.76 -179.126 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 58' ' ' ASP . 54.8 t -68.2 -52.73 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 120.839 -1.163 . . . . 0.0 109.074 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -50.26 -39.34 44.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.242 -0.911 . . . . 0.0 109.272 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.7 t -61.79 -38.01 86.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.282 -0.886 . . . . 0.0 109.339 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.8 mt -75.66 -47.9 24.39 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.276 -0.89 . . . . 0.0 108.728 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.6 t -56.18 -32.18 33.82 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -75.99 -35.42 59.6 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.407 -0.808 . . . . 0.0 109.428 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.4 m -67.01 -51.53 53.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.176 -0.952 . . . . 0.0 109.534 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.7 mt -58.05 -40.67 77.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.365 -0.835 . . . . 0.0 109.07 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -73.25 -32.19 64.55 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.305 -0.872 . . . . 0.0 110.56 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -91.43 -38.18 12.73 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.822 -1.174 . . . . 0.0 110.262 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -155.42 98.45 2.33 Favored Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.037 -1.039 . . . . 0.0 109.704 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.48 -3.84 14.45 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.677 1.584 . . . . 0.0 112.998 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -89.57 -27.97 19.88 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.895 -1.128 . . . . 0.0 110.8 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.9 t -84.07 23.1 1.08 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.74 -1.225 . . . . 0.0 109.631 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 t -120.68 108.72 36.91 Favored Pre-proline 0 N--CA 1.5 2.056 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -76.14 162.32 34.35 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.694 1.596 . . . . 0.0 113.092 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.23 172.88 15.5 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 122.866 2.377 . . . . 0.0 112.087 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.439 HG22 ' NH2' ' A' ' 101' ' ' ARG . 6.0 pt -111.94 165.39 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.688 -0.633 . . . . 0.0 109.335 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -89.69 137.47 32.3 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.196 -0.94 . . . . 0.0 108.864 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.4 t -138.66 138.4 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.674 -0.641 . . . . 0.0 109.303 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.2 mt -88.63 130.0 35.38 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.418 -0.801 . . . . 0.0 109.627 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.482 ' HE3' HE21 ' A' ' 119' ' ' GLN . 11.1 t90 -107.03 112.73 25.81 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.1 mt -128.36 141.4 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.28 -0.887 . . . . 0.0 109.91 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.593 ' HZ3' ' CG ' ' A' ' 91' ' ' ASP . 1.0 OUTLIER -101.36 156.17 17.61 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.615 -0.678 . . . . 0.0 109.255 -179.479 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.04 -171.36 31.16 Favored Glycine 0 N--CA 1.497 2.719 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.29 -12.84 61.69 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.719 -0.871 . . . . 0.0 111.002 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -120.22 22.85 11.22 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.085 -1.01 . . . . 0.0 110.189 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 81.09 -10.97 45.32 Favored Glycine 0 N--CA 1.491 2.362 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.076 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.51 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -51.01 113.62 2.3 Favored Glycine 0 N--CA 1.486 2.014 0 O-C-N 120.966 -1.314 . . . . 0.0 109.861 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.593 ' CG ' ' HZ3' ' A' ' 85' ' ' LYS . 20.3 m-20 -77.79 134.18 38.07 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.44 -1.035 . . . . 0.0 109.234 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.51 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.1 m-85 -128.78 128.98 45.04 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -106.07 122.13 45.55 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.212 -0.93 . . . . 0.0 110.234 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -106.83 136.37 46.79 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.599 -0.688 . . . . 0.0 109.181 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.1 123.42 41.52 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -129.32 88.24 2.67 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 136.43 -166.99 24.63 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 108.703 -1.759 . . . . 0.0 108.703 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 46.3 14.78 0.11 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' A' ' 97' ' ' GLY . 7.3 m -49.56 -49.55 45.85 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.059 -1.259 . . . . 0.0 109.486 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -59.99 -41.8 92.86 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.165 -0.96 . . . . 0.0 109.323 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.439 ' NH2' HG22 ' A' ' 79' ' ' ILE . 40.9 mtm180 -66.29 -31.1 71.69 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.053 -1.029 . . . . 0.0 109.291 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -66.26 -42.71 88.15 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.986 -1.071 . . . . 0.0 108.504 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.93 99.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.34 -0.85 . . . . 0.0 109.537 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.98 92.4 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.233 -0.917 . . . . 0.0 109.415 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -68.34 -42.25 79.56 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.198 -0.939 . . . . 0.0 108.85 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -62.63 -42.61 99.69 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.212 -0.93 . . . . 0.0 109.513 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -62.3 -36.29 81.68 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.312 -0.867 . . . . 0.0 109.573 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 110' ' ' ARG . 97.1 mt -80.51 16.99 1.18 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.277 -0.89 . . . . 0.0 109.488 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 41.77 26.2 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.604 -0.685 . . . . 0.0 110.864 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 108' ' ' LEU . 16.3 mmt180 -58.14 156.93 8.85 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 120.961 -1.087 . . . . 0.0 108.637 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -81.87 -41.9 20.35 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.424 -0.797 . . . . 0.0 110.34 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.639 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.1 p -134.31 177.46 7.74 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.031 -1.043 . . . . 0.0 110.349 -179.04 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.62 141.33 27.82 Favored Pre-proline 0 N--CA 1.503 2.184 0 O-C-N 121.661 -0.649 . . . . 0.0 109.632 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -66.98 130.92 24.06 Favored 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 120.941 1.094 . . . . 0.0 110.852 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -150.42 132.27 15.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.164 -0.96 . . . . 0.0 109.713 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -76.8 114.78 15.94 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.446 -0.784 . . . . 0.0 109.211 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 48.2 mt -79.31 133.58 36.63 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.962 -1.086 . . . . 0.0 109.079 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 57.9 t -134.53 116.27 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.617 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 21.3 mp0 -54.19 135.95 43.27 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.11 -0.994 . . . . 0.0 109.108 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.3 m -138.36 -179.57 5.87 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.26 -0.9 . . . . 0.0 109.248 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.2 p -127.84 161.82 28.13 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.613 -0.68 . . . . 0.0 109.406 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.8 tp -56.88 -36.84 70.57 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.15 -0.969 . . . . 0.0 109.819 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 35.1 t -54.26 -45.79 72.48 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.825 -1.172 . . . . 0.0 109.417 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.24 -46.92 76.03 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.146 -0.971 . . . . 0.0 108.449 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.8 tp -58.94 -38.47 79.07 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.024 -1.047 . . . . 0.0 108.962 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -56.56 -35.69 68.45 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.158 -0.964 . . . . 0.0 109.219 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 81.4 t -59.22 -33.41 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -90.51 -48.82 6.86 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.309 -0.869 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 131' ' ' ALA . 62.6 mt -116.08 44.25 1.98 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.454 -0.779 . . . . 0.0 110.302 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.65 39.18 0.1 OUTLIER Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.968 -1.111 . . . . 0.0 110.431 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.36 -58.87 0.13 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.853 -1.381 . . . . 0.0 109.618 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 17.8 m -98.65 36.43 1.65 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.998 -1.064 . . . . 0.0 109.248 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.35 119.8 77.7 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.3 -0.875 . . . . 0.0 109.969 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -79.16 -173.47 1.89 Allowed 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.95 1.767 . . . . 0.0 111.44 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -109.24 121.79 45.92 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 94.2 mt -80.42 136.59 36.38 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.482 -0.761 . . . . 0.0 110.325 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.222 179.798 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 121.361 0.601 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -151.43 -175.25 5.11 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.29 -0.881 . . . . 0.0 109.534 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.6 t -81.97 143.31 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.369 -0.832 . . . . 0.0 109.227 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -148.85 162.45 39.8 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.374 -0.829 . . . . 0.0 109.579 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -99.89 94.57 6.37 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.2 p -87.6 126.79 60.72 Favored Pre-proline 0 N--CA 1.498 1.936 0 O-C-N 121.291 -0.881 . . . . 0.0 109.442 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.643 ' HA ' HG22 ' A' ' 112' ' ' THR . 73.5 Cg_exo -48.06 140.23 19.42 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 121.807 1.671 . . . . 0.0 113.503 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.45 -31.79 72.75 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.831 0.824 . . . . 0.0 109.425 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.0 p -62.81 -27.8 69.56 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.759 -0.588 . . . . 0.0 112.28 -177.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.8 m -101.97 25.38 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.242 0 O-C-N 120.788 -1.195 . . . . 0.0 111.442 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 49' ' ' LEU . 71.2 mt -90.67 128.15 36.54 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.708 -1.245 . . . . 0.0 108.56 178.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.4 mt -97.79 119.29 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.395 -0.816 . . . . 0.0 110.635 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 76.6 mtt-85 -134.15 94.9 17.34 Favored Pre-proline 0 N--CA 1.494 1.752 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -97.31 27.92 0.19 Allowed 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.959 2.439 . . . . 0.0 112.062 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.9 tp -138.51 105.1 7.69 Favored Pre-proline 0 N--CA 1.499 1.991 0 O-C-N 121.315 -0.866 . . . . 0.0 109.719 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -49.04 169.42 0.1 OUTLIER 'Trans proline' 0 N--CA 1.497 1.715 0 C-N-CA 121.917 1.745 . . . . 0.0 112.309 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.0 m -158.07 162.36 38.06 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.197 -0.939 . . . . 0.0 109.787 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 56' ' ' VAL . 2.6 p -106.4 120.28 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.5 mt -104.27 145.86 29.63 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 122.228 1.013 . . . . 0.0 111.009 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -102.47 134.4 19.97 Favored Pre-proline 0 C--N 1.298 -1.634 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.83 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -75.25 -20.25 16.55 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 122.023 1.815 . . . . 0.0 113.164 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.537 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.0 -43.75 13.68 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.021 -1.049 . . . . 0.0 110.235 -179.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.425 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 8.6 ttmt -69.44 -31.39 69.69 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.191 -0.943 . . . . 0.0 109.903 -179.104 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 58' ' ' ASP . 55.1 t -67.94 -46.19 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.927 -1.108 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -58.88 -36.46 74.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.092 -1.005 . . . . 0.0 108.651 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.6 t -61.45 -37.72 84.58 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.258 -0.901 . . . . 0.0 109.165 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.1 mt -74.48 -48.03 29.77 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.2 t -54.75 -30.69 22.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -76.14 -35.35 59.28 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.501 -0.749 . . . . 0.0 109.466 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.4 m -67.63 -45.54 75.07 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.229 -0.919 . . . . 0.0 109.319 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.622 ' CG2' HH12 ' A' ' 110' ' ' ARG . 11.1 mt -65.36 -38.75 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.446 -0.784 . . . . 0.0 109.515 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mtp-105 -77.13 -35.23 56.35 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.22 -0.925 . . . . 0.0 110.327 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -90.43 -32.64 16.32 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.896 -1.128 . . . . 0.0 110.552 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.422 ' OD2' ' OD2' ' A' ' 74' ' ' ASP . 24.5 t70 -158.21 96.19 1.89 Allowed Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.014 -1.054 . . . . 0.0 109.937 -179.023 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -78.26 2.25 8.2 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 121.771 1.647 . . . . 0.0 112.914 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' A' ' 76' ' ' VAL . 1.1 p-10 -89.65 -43.23 10.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.988 -1.07 . . . . 0.0 109.938 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.0 m -71.86 25.58 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.035 -1.041 . . . . 0.0 109.925 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.481 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.2 t -122.23 104.71 37.59 Favored Pre-proline 0 N--CA 1.499 2.013 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -79.84 160.31 24.44 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.873 1.716 . . . . 0.0 112.758 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.24 172.15 15.45 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.842 2.361 . . . . 0.0 112.111 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 pt -110.47 165.04 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.51 134.07 33.67 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.264 -0.897 . . . . 0.0 108.652 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.2 t -138.15 138.93 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.318 -0.864 . . . . 0.0 109.479 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 mt -86.2 137.57 32.54 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.5 -0.75 . . . . 0.0 109.758 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -116.27 102.97 10.03 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.3 mt -119.21 150.58 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.41 -0.806 . . . . 0.0 109.549 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.486 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 34.2 mttp -113.46 156.92 22.66 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-O 121.83 0.824 . . . . 0.0 110.322 -179.245 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.27 -174.81 40.58 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.48 -7.11 23.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.675 -0.897 . . . . 0.0 110.862 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -126.46 24.78 6.65 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.091 -1.005 . . . . 0.0 110.664 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.29 -13.53 39.19 Favored Glycine 0 N--CA 1.495 2.602 0 O-C-N 120.964 -1.085 . . . . 0.0 111.094 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.525 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.58 108.57 0.4 Allowed Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.486 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 19.5 m-20 -77.35 134.67 38.42 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.49 -1.006 . . . . 0.0 109.351 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.525 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.4 m-85 -129.56 127.11 40.04 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -101.78 115.97 31.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.181 -0.949 . . . . 0.0 110.07 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -103.46 134.7 46.38 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.43 134.27 51.03 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.492 -0.755 . . . . 0.0 109.018 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -133.07 90.46 2.75 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 132.49 -159.31 23.36 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 107.979 -2.049 . . . . 0.0 107.979 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.7 26.52 1.85 Allowed Glycine 0 N--CA 1.494 2.552 0 O-C-N 121.158 -1.201 . . . . 0.0 110.206 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.5 m -64.19 -56.99 10.84 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.013 -1.287 . . . . 0.0 110.163 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -54.84 -37.47 66.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.9 -1.125 . . . . 0.0 109.629 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.2 mtm180 -68.21 -30.76 69.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.049 -1.032 . . . . 0.0 109.622 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -66.67 -43.46 84.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.028 -1.045 . . . . 0.0 108.8 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.8 92.98 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.275 -0.89 . . . . 0.0 109.811 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.71 -47.48 85.08 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.108 -0.995 . . . . 0.0 109.574 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -66.77 -41.55 87.53 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.135 -0.978 . . . . 0.0 108.887 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.431 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -61.59 -47.94 83.21 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.264 -0.898 . . . . 0.0 109.479 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.467 ' C ' ' H ' ' A' ' 109' ' ' GLN . 55.4 tt0 -59.38 -41.61 89.74 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.263 -0.898 . . . . 0.0 109.786 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.2 10.98 0.36 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.246 -0.909 . . . . 0.0 109.541 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.467 ' H ' ' C ' ' A' ' 107' ' ' GLN . 45.3 mm-40 45.97 30.01 0.84 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.333 -0.854 . . . . 0.0 110.232 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.622 HH12 ' CG2' ' A' ' 69' ' ' ILE . 19.8 mmt85 -65.43 155.07 36.63 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.933 -1.104 . . . . 0.0 108.55 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -81.1 -42.2 21.34 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.381 -0.825 . . . . 0.0 110.478 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.643 HG22 ' HA ' ' A' ' 45' ' ' PRO . 39.7 p -133.44 177.68 7.5 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.026 -1.047 . . . . 0.0 110.29 -178.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.78 141.6 28.25 Favored Pre-proline 0 N--CA 1.502 2.144 0 O-C-N 121.674 -0.641 . . . . 0.0 109.715 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -67.88 135.85 36.58 Favored 'Trans proline' 0 N--CA 1.491 1.362 0 CA-C-N 120.106 1.074 . . . . 0.0 110.519 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.6 133.42 12.22 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.278 -0.889 . . . . 0.0 109.553 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -76.67 110.29 11.12 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.389 -0.819 . . . . 0.0 109.067 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 60.8 mt -71.96 137.74 47.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.917 -1.115 . . . . 0.0 108.573 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 61.5 t -136.02 104.25 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.494 -0.754 . . . . 0.0 109.451 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.607 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -46.1 133.11 9.3 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.279 -0.888 . . . . 0.0 109.601 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.1 m -138.34 178.31 7.23 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.364 -0.835 . . . . 0.0 109.226 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.536 ' H ' ' CG ' ' A' ' 124' ' ' ASP . 7.0 p -126.91 160.46 30.95 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.6 tp -53.32 -40.5 64.87 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.044 -1.035 . . . . 0.0 109.399 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 11.7 t -53.26 -40.56 64.74 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.961 -1.087 . . . . 0.0 108.613 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.536 ' CG ' ' H ' ' A' ' 121' ' ' THR . 1.8 m-20 -56.02 -39.48 72.0 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.169 -0.957 . . . . 0.0 108.732 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.1 tp -69.41 -35.22 75.52 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.18 -0.95 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 130' ' ' GLY . 19.3 ttp180 -59.09 -38.42 79.47 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.974 -1.079 . . . . 0.0 108.451 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.43 -37.13 43.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 121.206 -0.934 . . . . 0.0 108.611 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -89.54 -47.65 7.83 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.158 -0.964 . . . . 0.0 110.942 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 131' ' ' ALA . 70.0 mt -117.31 45.87 1.81 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.438 -0.789 . . . . 0.0 110.344 -178.086 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -64.57 39.51 0.1 OUTLIER Glycine 0 N--CA 1.49 2.26 0 C-N-CA 119.792 -1.194 . . . . 0.0 110.448 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.91 -57.17 0.12 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.797 -1.413 . . . . 0.0 109.616 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 31.8 m -99.15 37.28 1.57 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.103 -0.998 . . . . 0.0 109.374 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -77.56 118.11 69.94 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.287 -0.883 . . . . 0.0 109.824 -179.387 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -79.8 -174.3 2.21 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.939 1.76 . . . . 0.0 111.303 178.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -104.88 127.91 52.89 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.791 0.805 . . . . 0.0 109.129 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 96.7 mt -91.06 138.54 31.53 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 121.535 0.684 . . . . 0.0 110.371 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.011 179.435 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.775 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.38 -174.82 5.02 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.283 -0.886 . . . . 0.0 109.728 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 99.5 t -75.27 143.93 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.44 -0.788 . . . . 0.0 109.05 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -150.71 162.91 39.79 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.363 -0.835 . . . . 0.0 109.564 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -101.88 94.43 5.8 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.3 p -87.29 124.87 67.53 Favored Pre-proline 0 N--CA 1.497 1.913 0 O-C-N 121.2 -0.938 . . . . 0.0 109.476 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.644 ' HA ' HG22 ' A' ' 112' ' ' THR . 72.0 Cg_exo -47.75 140.07 17.98 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 121.805 1.67 . . . . 0.0 113.397 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mt -66.75 -31.47 72.14 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 121.774 0.797 . . . . 0.0 109.31 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p -62.85 -27.34 69.27 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.794 -0.566 . . . . 0.0 112.155 -177.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.5 m -103.12 24.92 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.244 0 O-C-N 120.812 -1.18 . . . . 0.0 111.339 -178.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.8 mt -90.01 134.76 34.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.631 -1.293 . . . . 0.0 108.572 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.7 mt -102.47 115.16 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.547 -0.721 . . . . 0.0 109.727 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.5 mtt-85 -133.65 94.56 18.98 Favored Pre-proline 0 N--CA 1.496 1.873 0 O-C-N 121.628 -0.67 . . . . 0.0 109.638 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -98.94 29.95 0.13 Allowed 'Trans proline' 0 C--N 1.312 -1.364 0 C-N-CA 123.152 2.568 . . . . 0.0 111.858 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.5 tt -141.18 87.74 10.52 Favored Pre-proline 0 N--CA 1.496 1.839 0 O-C-N 121.234 -0.916 . . . . 0.0 109.941 -178.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.29 169.49 0.11 Allowed 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.4 2.067 . . . . 0.0 111.875 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -159.24 165.35 33.75 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.118 -0.988 . . . . 0.0 109.995 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 56' ' ' VAL . 2.8 p -95.32 116.47 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 179.059 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 75.5 mt -98.77 146.22 26.13 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 122.146 0.974 . . . . 0.0 110.907 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -100.85 133.98 20.77 Favored Pre-proline 0 C--N 1.299 -1.597 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.216 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.552 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 77.3 Cg_endo -75.49 -21.51 14.9 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 121.941 1.761 . . . . 0.0 113.113 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.53 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -82.57 -40.1 21.36 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.744 -1.222 . . . . 0.0 109.964 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -73.67 -30.78 63.1 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.231 -0.918 . . . . 0.0 109.921 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 58' ' ' ASP . 75.7 t -71.92 -52.42 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.837 -1.164 . . . . 0.0 108.537 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.552 ' NE2' ' O ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -50.07 -39.8 43.42 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.602 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 57.5 m -62.6 -41.04 98.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.32 -0.862 . . . . 0.0 109.274 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.1 mt -71.03 -41.96 70.16 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.21 -0.931 . . . . 0.0 108.681 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.4 t -55.67 -36.53 42.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -76.46 -32.22 58.28 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.487 -0.758 . . . . 0.0 109.823 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.3 m -67.27 -51.82 48.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.144 -0.972 . . . . 0.0 109.593 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.1 mt -58.44 -41.12 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.388 -0.82 . . . . 0.0 109.164 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.442 ' NE ' HD22 ' A' ' 108' ' ' LEU . 58.4 mtt180 -77.15 -32.83 56.57 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.26 -0.9 . . . . 0.0 110.277 -179.409 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -85.46 -36.03 20.86 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.842 -1.161 . . . . 0.0 109.958 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -153.67 93.76 3.01 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.308 -0.87 . . . . 0.0 109.44 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.55 -21.26 40.11 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.389 1.393 . . . . 0.0 112.85 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -84.69 -24.99 28.72 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.896 -1.127 . . . . 0.0 110.365 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.3 t -79.08 18.08 0.69 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.941 -1.1 . . . . 0.0 109.514 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 t -124.35 112.42 27.96 Favored Pre-proline 0 N--CA 1.5 2.026 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -76.6 162.19 33.27 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 121.651 1.567 . . . . 0.0 113.016 -178.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -77.19 170.77 18.99 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.847 2.365 . . . . 0.0 112.116 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.3 pt -110.0 167.72 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.693 -0.629 . . . . 0.0 109.307 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.72 139.93 30.2 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.155 -0.965 . . . . 0.0 108.806 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.3 t -139.52 139.16 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.485 -0.76 . . . . 0.0 109.357 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.6 mt -87.18 124.46 33.31 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.357 -0.84 . . . . 0.0 109.718 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -102.27 111.37 23.63 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.405 HG21 HD13 ' A' ' 84' ' ' ILE . 18.0 mt -127.41 138.57 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.274 -0.891 . . . . 0.0 109.979 -179.288 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.56 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 2.6 tttp -100.51 156.16 17.44 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.662 -0.649 . . . . 0.0 109.384 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.02 -169.9 32.26 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.56 -7.16 36.08 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.676 -0.897 . . . . 0.0 110.696 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -129.84 39.8 3.65 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.098 -1.001 . . . . 0.0 110.763 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.63 -13.21 0.87 Allowed Glycine 0 N--CA 1.493 2.497 0 O-C-N 121.176 -0.953 . . . . 0.0 111.575 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.439 ' O ' ' CE1' ' A' ' 92' ' ' TYR . . . -51.75 112.25 1.8 Allowed Glycine 0 N--CA 1.485 1.955 0 O-C-N 120.781 -1.423 . . . . 0.0 109.86 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.56 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 18.7 m-20 -80.02 133.96 36.19 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.502 -0.999 . . . . 0.0 109.318 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.439 ' CE1' ' O ' ' A' ' 90' ' ' GLY . 97.0 m-85 -126.51 123.14 37.11 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -100.16 121.7 41.84 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.188 -0.945 . . . . 0.0 110.367 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -110.24 130.64 55.51 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.49 127.35 50.96 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -128.99 87.73 2.61 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 178.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 137.98 -165.71 25.32 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 108.771 -1.732 . . . . 0.0 108.771 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 46.28 14.76 0.11 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 97' ' ' GLY . 4.7 m -49.74 -52.08 34.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.048 -1.266 . . . . 0.0 109.683 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -57.59 -37.58 73.43 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.065 -1.022 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -69.18 -30.92 69.23 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.077 -1.014 . . . . 0.0 109.534 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -65.05 -42.76 93.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.028 -1.045 . . . . 0.0 108.563 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.24 95.36 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.356 -0.84 . . . . 0.0 109.534 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.65 -46.27 90.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.227 -0.921 . . . . 0.0 109.498 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -68.17 -42.72 79.61 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.277 -0.89 . . . . 0.0 108.979 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.429 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -61.02 -52.01 66.79 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.298 -0.876 . . . . 0.0 109.554 -179.757 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 16.8 tm0? -54.8 -39.57 68.59 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.355 -0.84 . . . . 0.0 110.029 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.442 HD22 ' NE ' ' A' ' 70' ' ' ARG . 95.0 mt -73.1 10.14 1.02 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.153 -0.967 . . . . 0.0 109.687 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 44.89 37.33 2.3 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.299 -0.875 . . . . 0.0 110.387 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -72.82 159.25 34.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.123 -0.985 . . . . 0.0 108.829 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -82.14 -42.74 18.67 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.453 -0.779 . . . . 0.0 110.204 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.644 HG22 ' HA ' ' A' ' 45' ' ' PRO . 39.1 p -133.2 177.5 7.62 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.046 -1.034 . . . . 0.0 110.48 -178.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.6 tt -138.17 141.25 31.37 Favored Pre-proline 0 N--CA 1.502 2.158 0 O-C-N 121.656 -0.652 . . . . 0.0 110.076 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -68.24 132.58 26.25 Favored 'Trans proline' 0 N--CA 1.491 1.376 0 CA-C-N 119.935 1.012 . . . . 0.0 110.731 177.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.04 133.8 12.98 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.197 -0.939 . . . . 0.0 109.495 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.41 111.55 13.22 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.394 -0.817 . . . . 0.0 109.025 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 57.7 mt -73.03 137.29 45.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.978 -1.076 . . . . 0.0 108.456 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 77.1 t -137.41 104.73 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.427 -0.795 . . . . 0.0 109.532 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.607 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.5 mp0 -46.1 134.06 8.62 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.218 -0.926 . . . . 0.0 109.604 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.5 m -140.01 -179.05 5.74 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.376 -0.828 . . . . 0.0 109.33 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.3 p -128.16 160.52 31.8 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.568 -0.708 . . . . 0.0 109.514 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.6 tp -55.47 -23.11 23.88 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.25 -0.906 . . . . 0.0 109.809 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 35.8 t -64.69 -48.77 73.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.918 -1.114 . . . . 0.0 109.509 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -55.08 -42.37 72.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.078 -1.014 . . . . 0.0 108.784 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.3 tp -62.18 -38.28 88.45 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 120.945 -1.097 . . . . 0.0 108.935 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -56.57 -37.34 70.44 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.183 -0.948 . . . . 0.0 109.057 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 86.4 t -58.39 -33.82 48.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.18 -0.95 . . . . 0.0 108.477 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -90.38 -48.73 6.94 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.245 -0.91 . . . . 0.0 110.994 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 131' ' ' ALA . 67.0 mt -116.08 43.32 2.17 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.466 -0.771 . . . . 0.0 110.485 -177.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.69 38.48 0.1 Allowed Glycine 0 N--CA 1.487 2.061 0 C-N-CA 119.971 -1.109 . . . . 0.0 110.433 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.41 -59.41 0.15 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.827 -1.396 . . . . 0.0 109.445 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 21.8 t -97.99 38.0 1.36 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.019 -1.05 . . . . 0.0 109.136 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.5 119.53 77.49 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.361 -0.837 . . . . 0.0 109.933 -179.247 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -80.97 -174.25 2.16 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.054 1.836 . . . . 0.0 111.428 178.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -107.06 130.31 54.68 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 121.74 0.781 . . . . 0.0 108.96 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 94.1 mt -90.11 136.45 33.04 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-O 121.455 0.645 . . . . 0.0 110.378 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 . . . . . 0 N--CA 1.497 1.913 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.275 179.673 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.993 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -153.84 -174.31 4.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.269 -0.895 . . . . 0.0 109.766 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.2 t -75.35 142.14 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.454 -0.779 . . . . 0.0 109.016 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -147.84 147.01 29.34 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.443 -0.786 . . . . 0.0 109.588 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -85.21 95.39 9.15 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.1 p -89.39 124.48 64.35 Favored Pre-proline 0 N--CA 1.497 1.878 0 O-C-N 121.187 -0.946 . . . . 0.0 109.101 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.646 ' HA ' HG22 ' A' ' 112' ' ' THR . 83.1 Cg_exo -47.77 140.42 17.63 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 121.955 1.77 . . . . 0.0 113.7 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.5 -28.5 67.89 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.333 -0.854 . . . . 0.0 108.915 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.2 t -69.81 -15.2 63.07 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.575 -0.703 . . . . 0.0 112.496 -177.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.9 m -112.54 23.49 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.291 0 O-C-N 120.675 -1.266 . . . . 0.0 110.639 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.0 mt -92.47 123.22 35.62 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.819 -1.176 . . . . 0.0 109.008 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.5 mt -88.56 122.23 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.334 -0.854 . . . . 0.0 109.926 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -134.94 94.53 16.22 Favored Pre-proline 0 N--CA 1.496 1.868 0 O-C-N 121.589 -0.694 . . . . 0.0 109.547 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.667 ' O ' HD12 ' A' ' 53' ' ' LEU . 15.7 Cg_endo -98.54 31.33 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 123.142 2.561 . . . . 0.0 112.145 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 52' ' ' PRO . 1.1 mp -141.18 137.69 17.04 Favored Pre-proline 0 N--CA 1.499 2.01 0 O-C-N 121.015 -1.053 . . . . 0.0 108.937 -179.111 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -75.04 167.51 26.86 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.255 1.97 . . . . 0.0 111.869 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.7 m -154.57 160.43 41.49 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.11 -0.994 . . . . 0.0 109.781 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.447 ' O ' ' CG1' ' A' ' 56' ' ' VAL . 2.5 p -108.65 120.13 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.4 mt -103.79 146.34 28.77 Favored 'General case' 0 N--CA 1.498 1.925 0 CA-C-O 122.014 0.911 . . . . 0.0 110.728 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 3.6 t70 -112.31 139.97 23.14 Favored Pre-proline 0 N--CA 1.491 1.595 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.82 -22.55 17.5 Favored 'Trans proline' 0 N--CA 1.497 1.68 0 C-N-CA 121.998 1.799 . . . . 0.0 112.977 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.455 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -78.88 -39.55 34.75 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.12 -0.987 . . . . 0.0 110.399 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -76.51 -32.22 58.16 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.972 -1.08 . . . . 0.0 109.911 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.5 t -69.75 -37.91 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.92 -1.112 . . . . 0.0 109.348 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -67.08 -38.21 85.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.17 -0.956 . . . . 0.0 108.727 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.1 t -64.0 -37.39 87.24 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.297 -0.877 . . . . 0.0 109.279 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.58 -47.0 20.48 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.263 -0.898 . . . . 0.0 108.835 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.3 t -54.59 -31.82 24.14 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 O-C-N 121.203 -0.936 . . . . 0.0 108.565 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.54 -39.95 51.36 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.39 -0.819 . . . . 0.0 109.781 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.6 m -64.64 -50.94 65.14 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.055 -1.028 . . . . 0.0 109.099 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.634 ' CG2' HH12 ' A' ' 110' ' ' ARG . 21.7 mt -55.85 -41.82 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.237 -0.914 . . . . 0.0 108.886 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.474 ' NE ' ' CD2' ' A' ' 108' ' ' LEU . 73.6 mtt180 -77.8 -23.13 49.19 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.335 -0.853 . . . . 0.0 110.714 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -97.14 -31.74 12.31 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.804 -1.185 . . . . 0.0 110.09 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -164.87 89.56 1.01 Allowed Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.207 -0.933 . . . . 0.0 109.906 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.77 -14.48 45.08 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 121.782 1.654 . . . . 0.0 113.698 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -84.02 -24.73 30.38 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.679 -1.263 . . . . 0.0 110.377 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.5 p -83.15 22.0 1.03 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.957 -1.09 . . . . 0.0 109.972 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 t -122.26 96.5 46.21 Favored Pre-proline 0 N--CA 1.501 2.111 0 O-C-N 121.235 -0.916 . . . . 0.0 109.306 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.56 156.19 6.55 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.478 2.119 . . . . 0.0 112.526 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.5 171.69 17.76 Favored 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 122.629 2.22 . . . . 0.0 111.757 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.506 HG22 ' NH2' ' A' ' 101' ' ' ARG . 9.7 pt -105.88 166.01 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.561 -0.712 . . . . 0.0 109.447 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -89.46 130.37 35.82 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.264 -0.897 . . . . 0.0 108.764 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.0 t -137.31 140.19 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.291 -0.88 . . . . 0.0 109.632 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.1 mt -91.5 133.18 35.73 Favored 'General case' 0 N--CA 1.5 2.063 0 CA-C-O 121.651 0.739 . . . . 0.0 109.855 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.471 ' HE3' HE21 ' A' ' 119' ' ' GLN . 11.4 t90 -108.7 113.32 26.19 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.8 mt -131.89 145.99 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.283 -0.885 . . . . 0.0 109.682 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.481 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 38.3 mttp -109.66 156.59 20.05 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-O 121.86 0.838 . . . . 0.0 110.421 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.3 -174.4 38.9 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.52 -6.94 22.12 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.671 -0.9 . . . . 0.0 110.844 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -126.37 24.94 6.68 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.087 -1.008 . . . . 0.0 110.675 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.47 -14.01 37.59 Favored Glycine 0 N--CA 1.496 2.643 0 C-N-CA 120.072 -1.061 . . . . 0.0 111.123 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.521 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -49.11 108.47 0.43 Allowed Glycine 0 N--CA 1.487 2.07 0 O-C-N 120.827 -1.396 . . . . 0.0 109.63 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.481 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 6.8 m-20 -77.72 136.02 38.12 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.444 -1.033 . . . . 0.0 108.922 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.521 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 98.8 m-85 -129.8 129.09 43.61 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -104.65 119.34 38.76 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.291 -0.881 . . . . 0.0 110.122 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -104.14 131.12 51.76 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.15 120.87 39.02 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.339 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -123.3 86.03 2.51 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 137.16 -152.74 21.55 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.09 16.72 0.08 OUTLIER Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 97' ' ' GLY . 7.0 m -50.58 -49.73 55.57 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.168 -1.195 . . . . 0.0 110.027 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -67.51 -55.08 14.94 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.169 -0.957 . . . . 0.0 110.053 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.506 ' NH2' HG22 ' A' ' 79' ' ' ILE . 43.4 mtm180 -53.51 -30.72 42.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.899 -1.126 . . . . 0.0 109.283 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -66.18 -43.79 85.87 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.963 -1.085 . . . . 0.0 108.52 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.11 -45.99 91.13 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.312 -0.868 . . . . 0.0 109.619 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.79 -44.48 86.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.166 -0.959 . . . . 0.0 109.428 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -69.55 -43.17 73.5 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.196 -0.94 . . . . 0.0 108.945 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -60.22 -50.89 71.88 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.245 -0.91 . . . . 0.0 109.471 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.408 ' C ' ' H ' ' A' ' 109' ' ' GLN . 11.0 tm0? -54.07 -42.67 69.56 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.473 -0.767 . . . . 0.0 110.03 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.474 ' CD2' ' NE ' ' A' ' 70' ' ' ARG . 75.8 mt -73.53 11.08 0.87 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.072 -1.018 . . . . 0.0 109.67 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.408 ' H ' ' C ' ' A' ' 107' ' ' GLN . 48.7 mm-40 45.36 28.89 0.51 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.341 -0.849 . . . . 0.0 110.283 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.634 HH12 ' CG2' ' A' ' 69' ' ' ILE . 21.0 mmt85 -63.41 156.11 26.98 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.015 -1.053 . . . . 0.0 108.52 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -80.3 -41.58 24.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.348 -0.845 . . . . 0.0 110.643 -178.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.646 HG22 ' HA ' ' A' ' 45' ' ' PRO . 33.9 p -133.17 177.05 7.97 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.997 -1.065 . . . . 0.0 110.763 -178.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.7 tt -139.86 141.56 27.92 Favored Pre-proline 0 N--CA 1.504 2.226 0 O-C-N 121.694 -0.629 . . . . 0.0 109.785 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.47 130.1 21.58 Favored 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 120.941 1.094 . . . . 0.0 110.838 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.42 137.2 25.39 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.22 -0.925 . . . . 0.0 109.738 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -80.46 111.86 17.26 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 42.9 mt -79.07 132.81 36.73 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.851 -1.156 . . . . 0.0 109.128 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 58.1 t -132.88 115.84 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.616 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 21.8 mp0 -54.19 134.71 44.56 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.026 -1.046 . . . . 0.0 109.111 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.1 m -138.15 -179.71 5.94 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.284 -0.885 . . . . 0.0 109.096 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.8 p -128.21 160.75 31.13 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.586 -0.696 . . . . 0.0 109.374 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.0 tp -55.26 -35.64 65.22 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.119 -0.988 . . . . 0.0 109.72 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.2 t -54.85 -46.01 74.62 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.871 -1.143 . . . . 0.0 109.428 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -55.39 -46.88 76.54 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.065 -1.022 . . . . 0.0 108.476 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.4 tp -58.74 -38.32 78.12 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.052 -1.03 . . . . 0.0 108.934 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.8 ttm-85 -57.55 -35.63 70.59 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.185 -0.947 . . . . 0.0 109.33 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 82.3 t -59.2 -33.53 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.067 -1.021 . . . . 0.0 108.325 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -90.69 -48.35 7.11 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.361 -0.837 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 131' ' ' ALA . 42.6 mt -115.73 44.24 1.93 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.383 -0.823 . . . . 0.0 110.216 -178.219 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.64 38.38 0.1 OUTLIER Glycine 0 N--CA 1.488 2.153 0 C-N-CA 119.959 -1.115 . . . . 0.0 110.35 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.71 -54.9 0.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.81 -1.406 . . . . 0.0 109.4 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.6 t -99.29 37.56 1.54 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.187 -0.945 . . . . 0.0 109.184 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.89 117.79 68.76 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.38 -0.825 . . . . 0.0 110.172 -179.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -81.27 -174.09 2.07 Favored 'Trans proline' 0 N--CA 1.488 1.204 0 C-N-CA 122.03 1.82 . . . . 0.0 111.117 178.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -105.66 128.39 53.62 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.43 -0.794 . . . . 0.0 109.013 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.9 mt -89.21 137.36 32.39 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 121.475 0.655 . . . . 0.0 110.274 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 117.904 -1.046 . . . . 0.0 109.037 179.449 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.357 0.598 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -144.8 -174.36 4.32 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.263 -0.898 . . . . 0.0 109.459 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.4 t -74.87 143.39 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.387 -0.821 . . . . 0.0 109.084 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -151.31 145.79 25.57 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.336 -0.853 . . . . 0.0 109.732 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -83.45 95.46 8.27 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.408 ' CG1' HD21 ' A' ' 49' ' ' LEU . 4.1 p -88.96 124.94 63.99 Favored Pre-proline 0 N--CA 1.496 1.867 0 O-C-N 121.139 -0.976 . . . . 0.0 108.856 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.663 ' HA ' HG22 ' A' ' 112' ' ' THR . 50.6 Cg_exo -47.92 142.48 15.06 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 C-N-CA 121.838 1.692 . . . . 0.0 113.75 -178.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.2 mt -68.83 -32.53 72.29 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.245 -0.909 . . . . 0.0 109.097 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.4 p -66.0 -17.67 64.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.784 -0.573 . . . . 0.0 112.253 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.2 m -111.1 26.28 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.217 0 O-C-N 120.805 -1.184 . . . . 0.0 110.687 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.588 HD13 HH12 ' A' ' 51' ' ' ARG . 68.5 mt -95.27 127.81 41.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.959 -1.088 . . . . 0.0 108.806 178.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.0 mt -95.8 119.72 44.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.323 -0.861 . . . . 0.0 110.392 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.588 HH12 HD13 ' A' ' 49' ' ' LEU . 76.6 mtt85 -134.62 95.28 16.06 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.795 -0.565 . . . . 0.0 109.739 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -97.2 28.11 0.19 Allowed 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.965 2.443 . . . . 0.0 111.385 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tt -141.69 97.85 6.53 Favored Pre-proline 0 N--CA 1.495 1.782 0 O-C-N 121.402 -0.811 . . . . 0.0 109.35 -178.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.52 163.43 36.08 Favored 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 121.405 1.403 . . . . 0.0 111.641 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 m -151.38 167.49 27.77 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.111 -0.993 . . . . 0.0 110.001 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 56' ' ' VAL . 3.5 p -89.42 110.18 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.8 mt -87.34 146.63 25.83 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.998 -1.064 . . . . 0.0 110.653 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -95.6 132.64 27.05 Favored Pre-proline 0 C--N 1.296 -1.724 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.086 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -75.16 -19.98 16.99 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 121.97 1.78 . . . . 0.0 112.983 -178.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.541 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -84.16 -45.27 13.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.072 -1.017 . . . . 0.0 110.043 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.438 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 9.5 ttmt -66.78 -31.87 72.78 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.203 -0.936 . . . . 0.0 109.81 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.15 -36.03 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.858 -1.151 . . . . 0.0 108.545 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -62.87 -45.19 93.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.373 -0.829 . . . . 0.0 109.13 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.2 t -56.36 -39.44 72.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.332 -0.855 . . . . 0.0 109.303 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.8 mt -72.93 -50.43 23.61 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.232 -0.917 . . . . 0.0 108.561 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.0 t -55.98 -32.28 32.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -76.18 -38.61 56.38 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.449 -0.782 . . . . 0.0 110.003 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.2 m -64.99 -51.75 59.95 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.046 -1.034 . . . . 0.0 109.427 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.633 ' CG2' HH12 ' A' ' 110' ' ' ARG . 13.8 mt -56.5 -41.37 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.293 -0.879 . . . . 0.0 108.771 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.406 ' NE ' ' CD2' ' A' ' 108' ' ' LEU . 70.0 mtt180 -77.4 -27.09 52.28 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.293 -0.879 . . . . 0.0 110.372 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -89.81 -37.09 14.73 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.745 -1.222 . . . . 0.0 109.532 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -161.39 99.83 1.24 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.237 -0.914 . . . . 0.0 109.327 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.85 -4.96 16.19 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.522 1.481 . . . . 0.0 113.166 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -89.01 -26.1 21.64 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.868 -1.145 . . . . 0.0 110.82 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.6 t -88.52 25.33 1.72 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.792 -1.193 . . . . 0.0 109.575 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.9 t -118.31 110.74 39.01 Favored Pre-proline 0 N--CA 1.499 2.003 0 O-C-N 121.333 -0.854 . . . . 0.0 108.742 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.71 162.17 30.13 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 121.671 1.581 . . . . 0.0 112.945 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -79.14 172.56 14.61 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 122.873 2.382 . . . . 0.0 112.198 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.3 pt -111.44 165.39 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 80' ' ' ASP . 1.1 p-10 -87.26 136.26 33.0 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.247 -0.908 . . . . 0.0 109.166 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.1 t -138.31 141.92 36.6 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.287 -0.883 . . . . 0.0 109.492 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.0 mt -90.27 131.75 35.91 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.388 -0.82 . . . . 0.0 109.868 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -107.59 112.78 25.68 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.3 mt -130.43 144.03 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.211 -0.931 . . . . 0.0 109.615 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.523 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 37.1 mttp -109.71 156.38 20.34 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 121.781 0.8 . . . . 0.0 110.257 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.1 -174.57 39.24 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.39 -7.29 23.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.737 -0.861 . . . . 0.0 110.835 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -125.87 24.67 7.01 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.08 -1.012 . . . . 0.0 110.699 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.12 -13.55 38.01 Favored Glycine 0 N--CA 1.496 2.65 0 O-C-N 121.011 -1.055 . . . . 0.0 111.16 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.53 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.85 109.09 0.49 Allowed Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.523 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 14.2 m-20 -77.67 135.33 38.07 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.449 -1.03 . . . . 0.0 109.175 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.53 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.0 m-85 -129.97 122.76 29.12 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -98.98 118.02 34.81 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.254 -0.903 . . . . 0.0 110.09 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -106.6 134.35 49.88 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.46 134.75 52.97 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.477 -0.764 . . . . 0.0 109.215 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -135.08 91.0 2.69 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 131.95 -167.04 22.96 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 108.523 -1.831 . . . . 0.0 108.523 -179.464 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 46.3 15.1 0.12 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 97' ' ' GLY . 7.1 m -49.44 -52.54 28.23 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.096 -1.237 . . . . 0.0 109.445 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -55.01 -30.63 59.92 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.219 -0.925 . . . . 0.0 109.054 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -29.04 66.38 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 109.561 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.32 -45.49 62.88 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.134 -0.979 . . . . 0.0 109.454 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.06 -41.31 83.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.14 -0.975 . . . . 0.0 109.822 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.07 -48.94 76.49 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.138 -0.976 . . . . 0.0 109.675 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -66.12 -41.56 90.38 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.214 -0.929 . . . . 0.0 108.835 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.428 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -62.1 -46.58 88.42 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.31 -0.868 . . . . 0.0 109.341 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -57.96 -40.85 81.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.295 -0.878 . . . . 0.0 109.971 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.406 ' CD2' ' NE ' ' A' ' 70' ' ' ARG . 98.6 mt -74.58 6.74 3.52 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.16 -0.962 . . . . 0.0 109.503 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 47.12 45.65 16.07 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.345 -0.847 . . . . 0.0 110.151 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.633 HH12 ' CG2' ' A' ' 69' ' ' ILE . 21.0 mmt85 -80.71 160.7 24.88 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.985 -1.072 . . . . 0.0 108.583 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 111' ' ' GLU . 21.7 mp0 -81.66 -41.51 21.29 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.313 -0.867 . . . . 0.0 110.407 -179.21 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.663 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.8 p -135.0 177.22 7.97 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.031 -1.043 . . . . 0.0 110.463 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.4 tt -139.41 141.16 27.9 Favored Pre-proline 0 N--CA 1.504 2.233 0 O-C-N 121.739 -0.601 . . . . 0.0 109.833 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.3 130.2 22.03 Favored 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 120.902 1.068 . . . . 0.0 110.792 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -149.46 133.85 17.47 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.192 -0.943 . . . . 0.0 109.292 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -79.5 117.59 20.59 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.301 -0.874 . . . . 0.0 109.001 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 49.4 mt -77.89 136.13 38.0 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.23 -0.919 . . . . 0.0 108.561 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.2 t -133.29 108.72 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.536 -0.727 . . . . 0.0 109.203 -179.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.653 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 14.8 mp0 -46.15 134.01 8.78 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.287 -0.883 . . . . 0.0 109.106 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.8 m -141.7 179.52 6.79 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.166 -0.959 . . . . 0.0 109.309 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.0 p -131.83 160.9 34.29 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.532 -0.73 . . . . 0.0 109.385 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.3 tp -54.54 -25.45 25.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.181 -0.949 . . . . 0.0 109.684 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 57.7 m -62.97 -48.22 79.8 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.95 -1.094 . . . . 0.0 109.535 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -55.17 -41.65 72.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.157 -0.964 . . . . 0.0 108.82 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.5 tp -61.82 -38.29 87.62 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.085 -1.01 . . . . 0.0 109.134 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.1 ttm105 -57.86 -37.07 73.26 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.07 -1.019 . . . . 0.0 109.175 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.6 t -57.65 -34.91 48.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.148 -0.97 . . . . 0.0 108.44 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -90.49 -48.32 7.17 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.337 -0.852 . . . . 0.0 110.922 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.551 ' O ' ' N ' ' A' ' 131' ' ' ALA . 75.6 mt -115.12 43.61 1.97 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.435 -0.79 . . . . 0.0 110.302 -178.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.85 38.95 0.1 Allowed Glycine 0 N--CA 1.489 2.214 0 C-N-CA 119.913 -1.137 . . . . 0.0 110.334 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.87 -59.53 0.14 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.781 -1.423 . . . . 0.0 109.564 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.9 t -97.64 37.48 1.38 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.04 -1.038 . . . . 0.0 109.232 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.71 117.93 67.2 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.292 -0.88 . . . . 0.0 110.044 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -81.48 -174.38 2.16 Favored 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 122.018 1.812 . . . . 0.0 111.375 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -105.67 129.51 53.88 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.733 0.778 . . . . 0.0 109.003 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 93.8 mt -89.81 137.27 32.48 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.512 0.672 . . . . 0.0 110.399 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 117.891 -1.052 . . . . 0.0 109.036 179.424 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.0 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.02 -174.13 4.77 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.283 -0.886 . . . . 0.0 109.777 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.2 t -74.96 144.36 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -149.66 142.39 24.61 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.291 -0.88 . . . . 0.0 109.733 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -82.64 95.32 7.77 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.447 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.3 p -87.81 123.8 68.45 Favored Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 121.169 -0.957 . . . . 0.0 109.256 -179.056 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.642 ' HA ' HG22 ' A' ' 112' ' ' THR . 77.5 Cg_exo -47.46 140.07 16.44 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 121.856 1.704 . . . . 0.0 113.345 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.8 -30.47 70.68 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.443 -0.785 . . . . 0.0 109.321 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p -62.92 -27.35 69.31 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.813 -0.555 . . . . 0.0 112.107 -177.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.3 m -103.57 26.27 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.228 0 O-C-N 120.788 -1.195 . . . . 0.0 111.351 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.0 mt -90.3 138.32 31.63 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.707 -1.246 . . . . 0.0 108.838 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.4 mt -109.5 113.13 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.599 -0.688 . . . . 0.0 109.394 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.9 mtp-105 -134.62 96.63 14.9 Favored Pre-proline 0 N--CA 1.498 1.941 0 O-C-N 121.547 -0.721 . . . . 0.0 109.775 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -96.04 28.06 0.23 Allowed 'Trans proline' 0 C--N 1.314 -1.268 0 C-N-CA 122.911 2.407 . . . . 0.0 111.618 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.9 tt -141.34 93.68 7.87 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.303 -0.873 . . . . 0.0 109.426 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -75.22 164.12 33.56 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 121.66 1.574 . . . . 0.0 111.845 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 m -149.07 168.91 21.89 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.147 -0.971 . . . . 0.0 109.878 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.8 t -87.67 108.89 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.596 HD21 ' SG ' ' A' ' 99' ' ' CYS . 77.7 mt -88.38 146.77 25.08 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 122.056 0.931 . . . . 0.0 110.759 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.6 OUTLIER -95.38 130.36 32.42 Favored Pre-proline 0 C--N 1.298 -1.646 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.867 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -75.69 -19.1 16.75 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.792 1.661 . . . . 0.0 112.952 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.521 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -83.1 -42.39 17.45 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.052 -1.03 . . . . 0.0 110.091 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -31.76 68.55 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.133 -0.979 . . . . 0.0 109.622 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.4 t -70.97 -50.94 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.021 -1.049 . . . . 0.0 109.034 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -42.27 46.29 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.1 t -60.5 -45.74 92.68 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.326 -0.858 . . . . 0.0 109.412 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.8 mt -63.79 -42.95 97.62 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.19 -0.944 . . . . 0.0 108.734 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.4 t -55.25 -33.29 30.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.27 -33.91 59.12 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.38 -0.825 . . . . 0.0 109.401 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.9 m -67.27 -50.97 58.39 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.12 -0.987 . . . . 0.0 109.231 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.8 mt -58.02 -41.33 80.12 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.426 -0.796 . . . . 0.0 109.261 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -77.34 -32.23 55.01 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.244 -0.91 . . . . 0.0 110.319 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -86.4 -34.48 20.16 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.909 -1.119 . . . . 0.0 110.209 -178.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -154.66 85.88 3.62 Favored Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.141 -0.975 . . . . 0.0 109.766 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -62.11 -20.63 70.44 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.728 1.619 . . . . 0.0 113.191 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -85.78 -26.8 25.58 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.774 -1.204 . . . . 0.0 110.528 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.2 m -77.81 16.91 0.62 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.871 -1.143 . . . . 0.0 109.636 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 t -119.52 113.42 34.98 Favored Pre-proline 0 N--CA 1.5 2.045 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -76.46 162.21 33.62 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 121.672 1.581 . . . . 0.0 113.097 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -77.65 172.13 16.29 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 122.878 2.385 . . . . 0.0 112.106 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.433 HG22 ' NH2' ' A' ' 101' ' ' ARG . 7.2 pt -110.0 167.67 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -91.4 135.27 33.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.169 -0.957 . . . . 0.0 109.036 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.9 t -138.06 138.32 43.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.371 -0.831 . . . . 0.0 109.401 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.3 mt -86.29 142.01 28.83 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.422 -0.799 . . . . 0.0 109.94 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.464 ' HE3' HE21 ' A' ' 119' ' ' GLN . 11.3 t90 -117.74 113.12 21.37 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.1 mt -131.81 145.11 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.309 -0.87 . . . . 0.0 110.031 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.507 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 38.5 mttp -108.42 156.76 19.08 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.564 0.697 . . . . 0.0 109.567 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.22 -167.18 30.18 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.03 -7.18 33.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.627 -0.925 . . . . 0.0 110.763 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.418 ' C ' ' H ' ' A' ' 90' ' ' GLY . 38.1 mt-30 -130.2 39.46 3.66 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.054 -1.029 . . . . 0.0 110.672 -179.268 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.57 -11.92 0.54 Allowed Glycine 0 N--CA 1.494 2.537 0 O-C-N 121.217 -0.927 . . . . 0.0 111.639 178.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -49.37 109.42 0.59 Allowed Glycine 0 N--CA 1.485 1.924 0 O-C-N 120.771 -1.429 . . . . 0.0 109.559 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.507 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 7.7 m-20 -78.57 134.36 37.23 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.38 -1.071 . . . . 0.0 108.703 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 95.1 m-85 -128.61 125.21 37.71 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -100.74 121.32 41.47 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.217 -0.927 . . . . 0.0 110.293 -178.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -108.99 136.58 48.28 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.6 130.36 51.51 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 179.136 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -130.86 89.89 2.82 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 136.59 -156.66 23.24 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 107.887 -2.085 . . . . 0.0 107.887 -179.006 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 46.34 14.39 0.1 OUTLIER Glycine 0 N--CA 1.493 2.477 0 O-C-N 121.005 -1.291 . . . . 0.0 110.074 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.596 ' SG ' HD21 ' A' ' 57' ' ' LEU . 4.7 t -50.69 -43.31 57.58 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.142 -1.21 . . . . 0.0 110.055 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -76.03 -53.94 7.6 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.054 -1.029 . . . . 0.0 109.57 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.433 ' NH2' HG22 ' A' ' 79' ' ' ILE . 25.0 mtm180 -53.48 -29.79 37.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.918 -1.114 . . . . 0.0 108.801 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -67.2 -42.36 84.26 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.23 91.6 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.308 -0.87 . . . . 0.0 109.699 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.0 93.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.181 -0.949 . . . . 0.0 109.379 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -68.78 -42.41 77.45 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.227 -0.921 . . . . 0.0 108.933 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.441 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -61.74 -45.82 92.28 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.249 -0.907 . . . . 0.0 109.452 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.407 ' C ' ' H ' ' A' ' 109' ' ' GLN . 36.0 tt0 -60.99 -43.29 99.05 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.351 -0.843 . . . . 0.0 110.112 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.4 mt -70.28 6.19 1.43 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.05 -1.031 . . . . 0.0 109.718 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.407 ' H ' ' C ' ' A' ' 107' ' ' GLN . 42.2 tt0 45.09 37.38 2.5 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.378 -0.826 . . . . 0.0 110.286 179.352 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -70.17 161.37 30.35 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.006 -1.059 . . . . 0.0 108.54 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.416 ' CD ' ' N ' ' A' ' 111' ' ' GLU . 16.6 mp0 -80.07 -40.01 28.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.394 -0.816 . . . . 0.0 110.775 -178.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.642 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.7 p -134.38 177.4 7.79 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.066 -1.021 . . . . 0.0 110.656 -178.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -138.61 141.35 30.68 Favored Pre-proline 0 N--CA 1.502 2.136 0 O-C-N 121.71 -0.619 . . . . 0.0 109.76 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -69.1 132.11 23.67 Favored 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 120.968 1.112 . . . . 0.0 110.708 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.29 132.83 12.96 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.194 -0.942 . . . . 0.0 109.662 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -77.64 121.87 24.55 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.388 -0.82 . . . . 0.0 109.186 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 40.3 mt -84.95 134.58 34.24 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.179 -0.951 . . . . 0.0 109.219 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.7 t -134.76 116.01 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.615 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 21.5 mp0 -53.43 139.32 31.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.128 -0.982 . . . . 0.0 109.093 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.6 m -142.5 -179.05 6.06 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.203 -0.936 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.5 p -129.43 160.77 32.09 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.53 -0.731 . . . . 0.0 109.378 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.9 tp -55.13 -34.53 63.81 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.056 -1.028 . . . . 0.0 109.665 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 68.0 m -55.73 -45.59 77.93 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.92 -1.112 . . . . 0.0 109.4 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.38 -46.44 76.52 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.035 -1.041 . . . . 0.0 108.445 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.11 -37.94 81.51 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.06 -1.025 . . . . 0.0 108.918 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 -57.77 -34.68 69.83 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.155 -0.966 . . . . 0.0 109.249 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.24 -34.3 56.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 O-C-N 121.14 -0.975 . . . . 0.0 108.417 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -90.54 -48.48 7.06 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.309 -0.869 . . . . 0.0 111.001 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 131' ' ' ALA . 74.9 mt -114.82 42.95 2.05 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.38 -0.825 . . . . 0.0 110.389 -177.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.66 39.41 0.1 Allowed Glycine 0 N--CA 1.488 2.147 0 C-N-CA 119.932 -1.128 . . . . 0.0 110.405 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.68 -58.41 0.14 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.78 -1.423 . . . . 0.0 109.549 179.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.4 t -99.22 35.85 1.84 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.105 -0.997 . . . . 0.0 109.293 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.46 119.45 75.93 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 0.0 109.866 -179.338 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.87 -174.29 2.21 Favored 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.934 1.756 . . . . 0.0 111.514 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -106.79 119.67 39.95 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 94.1 mt -80.41 137.72 36.55 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.458 -0.776 . . . . 0.0 110.374 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 . . . . . 0 N--CA 1.497 1.875 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.327 179.75 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -160.76 60.38 1.31 Allowed Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.232 -1.158 . . . . 0.0 109.52 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.69 33.95 0.41 Allowed 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.735 2.29 . . . . 0.0 111.993 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -170.1 163.34 9.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.208 -0.933 . . . . 0.0 109.447 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.31 178.56 34.51 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.38 -93.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.781 2.32 . . . . 0.0 112.013 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 170.36 179.19 41.67 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.43 133.97 16.57 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.836 2.357 . . . . 0.0 111.984 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.5 m -161.3 27.26 0.13 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.239 -0.913 . . . . 0.0 109.508 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.69 113.17 0.27 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.82 87.72 0.05 OUTLIER Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.56 -44.09 45.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.223 -1.163 . . . . 0.0 109.475 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -71.95 140.15 49.03 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.192 -0.942 . . . . 0.0 109.469 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.34 16.49 62.75 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.49 137.72 29.5 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 p -70.09 179.04 2.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.191 -1.181 . . . . 0.0 109.447 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.1 pt -79.14 55.27 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.251 -0.906 . . . . 0.0 109.499 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.404 ' H ' ' H ' ' A' ' 35' ' ' SER . 84.8 t60 -169.5 -7.5 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.218 -0.926 . . . . 0.0 109.465 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.404 ' H ' ' H ' ' A' ' 34' ' ' HIS . 26.8 t -71.39 -94.65 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -0.915 . . . . 0.0 109.456 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -161.68 131.47 2.57 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.681 ' CZ ' ' H ' ' A' ' 38' ' ' ILE . 2.4 tpm_? -170.0 151.89 4.18 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.245 -1.15 . . . . 0.0 109.374 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.681 ' H ' ' CZ ' ' A' ' 37' ' ' ARG . 22.5 mt -139.57 98.53 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.313 -0.867 . . . . 0.0 108.945 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -110.39 117.55 33.92 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -151.66 -174.34 4.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.266 -0.896 . . . . 0.0 109.798 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.6 t -75.46 144.06 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -149.03 143.88 26.37 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.092 -1.005 . . . . 0.0 109.968 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -84.08 95.55 8.63 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.2 p -89.29 124.66 64.08 Favored Pre-proline 0 N--CA 1.497 1.891 0 O-C-N 121.196 -0.94 . . . . 0.0 109.268 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.649 ' HA ' HG22 ' A' ' 112' ' ' THR . 89.3 Cg_exo -47.4 139.71 16.6 Favored 'Trans proline' 0 N--CA 1.499 1.812 0 C-N-CA 121.964 1.776 . . . . 0.0 113.802 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.5 mt -67.09 -29.39 69.13 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.421 -0.8 . . . . 0.0 108.913 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t -68.05 -16.98 64.26 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.642 -0.661 . . . . 0.0 112.332 -177.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.6 m -112.19 24.95 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.272 0 O-C-N 120.695 -1.253 . . . . 0.0 110.96 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.9 mt -88.77 138.5 31.36 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.766 -1.209 . . . . 0.0 108.589 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.3 mt -108.48 115.48 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.534 -0.729 . . . . 0.0 109.859 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -132.49 95.75 20.03 Favored Pre-proline 0 N--CA 1.495 1.787 0 O-C-N 121.722 -0.611 . . . . 0.0 109.403 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -97.05 29.12 0.17 Allowed 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.944 2.429 . . . . 0.0 111.946 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tt -141.16 87.83 10.49 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.353 -0.842 . . . . 0.0 109.679 -178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -49.11 169.38 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 122.487 2.124 . . . . 0.0 112.164 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.7 m -158.21 165.35 35.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.166 -0.959 . . . . 0.0 109.88 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.9 t -96.17 110.24 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.5 mt -92.85 146.56 23.54 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 122.116 0.96 . . . . 0.0 110.924 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.1 t70 -103.11 133.42 20.35 Favored Pre-proline 0 C--N 1.299 -1.601 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 178.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.447 ' O ' ' OE1' ' A' ' 63' ' ' GLN . 94.9 Cg_endo -74.98 -19.64 17.69 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 121.937 1.758 . . . . 0.0 112.697 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.523 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.74 -35.45 20.78 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.991 -1.068 . . . . 0.0 109.155 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 27.9 tttt -73.28 -29.88 63.03 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.499 -0.751 . . . . 0.0 110.195 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.6 t -73.11 -34.92 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.627 ' N ' ' OE1' ' A' ' 63' ' ' GLN . 1.3 mp0 -62.74 -40.24 96.62 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.795 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 10.4 t -62.74 -40.81 98.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.284 -0.885 . . . . 0.0 109.363 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.6 mt -72.9 -45.36 58.63 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.227 -0.92 . . . . 0.0 108.866 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.0 t -55.78 -29.81 26.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.324 -0.86 . . . . 0.0 108.7 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -75.87 -36.67 59.47 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.468 -0.77 . . . . 0.0 110.022 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.5 m -65.31 -50.75 64.51 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.114 -0.991 . . . . 0.0 109.579 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.2 mt -60.17 -38.9 78.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.361 -0.837 . . . . 0.0 109.449 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -77.15 -29.79 54.76 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.255 -0.903 . . . . 0.0 110.471 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -91.82 -37.62 12.83 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.744 -1.222 . . . . 0.0 109.953 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -155.67 97.64 2.32 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.098 -1.001 . . . . 0.0 109.597 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.52 -3.31 13.71 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 121.617 1.545 . . . . 0.0 112.98 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -89.65 -28.84 19.22 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.936 -1.102 . . . . 0.0 110.809 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.4 m -83.6 23.38 0.96 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.767 -1.208 . . . . 0.0 109.59 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 t -120.68 103.4 43.63 Favored Pre-proline 0 N--CA 1.5 2.026 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.539 ' O ' ' NH1' ' A' ' 101' ' ' ARG . 38.2 Cg_endo -74.86 162.76 36.85 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.665 1.577 . . . . 0.0 112.695 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.43 170.43 19.95 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.768 2.312 . . . . 0.0 112.165 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.1 pt -108.08 163.94 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -84.56 132.66 34.49 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.099 -1.0 . . . . 0.0 108.77 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.9 t -136.4 137.92 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.2 mt -88.47 133.29 34.17 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.463 -0.773 . . . . 0.0 110.069 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -108.32 107.73 18.44 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.418 HG21 HD13 ' A' ' 84' ' ' ILE . 27.6 mt -126.56 145.63 33.77 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 121.398 -0.814 . . . . 0.0 109.785 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.531 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 37.3 mttp -108.7 156.6 19.39 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 121.548 0.689 . . . . 0.0 109.594 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.36 -168.12 37.13 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.49 -6.5 36.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.549 -0.971 . . . . 0.0 110.776 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -130.0 39.09 3.73 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.062 -1.024 . . . . 0.0 110.799 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.85 -12.91 0.97 Allowed Glycine 0 N--CA 1.493 2.476 0 O-C-N 121.102 -0.999 . . . . 0.0 111.658 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.526 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -50.35 108.39 0.5 Allowed Glycine 0 N--CA 1.487 2.037 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.531 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 12.6 m-20 -76.53 136.4 39.3 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.452 -1.028 . . . . 0.0 109.176 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.526 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 98.7 m-85 -131.82 130.65 42.03 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -104.28 120.53 41.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.318 -0.864 . . . . 0.0 110.185 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -107.14 137.62 44.87 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.49 132.98 49.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.696 -0.628 . . . . 0.0 109.397 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -134.49 90.67 2.69 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 135.27 -163.94 24.85 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 1.129 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 45.39 24.28 0.98 Allowed Glycine 0 N--CA 1.495 2.612 0 O-C-N 121.097 -1.237 . . . . 0.0 110.36 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.828 ' N ' ' PG ' ' A' ' 1' ' ' ATP . 3.4 m -53.43 -56.18 18.98 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.92 -1.341 . . . . 0.0 109.796 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.591 ' N ' ' O1G' ' A' ' 1' ' ' ATP . 47.4 m80 -61.71 -33.95 74.93 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.116 -0.99 . . . . 0.0 109.749 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.539 ' NH1' ' O ' ' A' ' 77' ' ' PRO . 1.6 tpp85 -63.92 -31.37 72.52 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.982 -1.074 . . . . 0.0 109.228 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -68.7 -42.65 77.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.244 -0.91 . . . . 0.0 109.064 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.6 -44.47 89.89 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.282 -0.886 . . . . 0.0 110.113 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.78 -45.81 92.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.022 -1.049 . . . . 0.0 109.518 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -68.48 -42.89 78.05 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.29 -0.881 . . . . 0.0 109.146 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.24 -35.45 80.45 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.337 -0.852 . . . . 0.0 110.024 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -70.31 -36.84 74.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.215 -0.928 . . . . 0.0 109.615 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 91.3 mt -74.04 11.06 0.98 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.276 -0.89 . . . . 0.0 109.813 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 45.43 43.15 8.41 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.273 -0.892 . . . . 0.0 110.154 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 70.2 mmt-85 -81.59 160.9 23.71 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.16 -0.963 . . . . 0.0 109.084 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.635 ' HG2' HG23 ' A' ' 112' ' ' THR . 12.6 tt0 -84.29 -42.59 15.67 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.508 -0.745 . . . . 0.0 110.567 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.649 HG22 ' HA ' ' A' ' 45' ' ' PRO . 22.8 p -133.75 177.02 8.04 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.843 -1.161 . . . . 0.0 110.578 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.8 tt -139.05 140.64 27.32 Favored Pre-proline 0 N--CA 1.504 2.241 0 O-C-N 121.615 -0.678 . . . . 0.0 110.027 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -67.91 131.29 23.63 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 120.893 1.062 . . . . 0.0 110.519 177.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.12 129.38 11.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.098 -1.001 . . . . 0.0 109.897 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 29.0 tttp -72.68 123.94 24.3 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.514 -0.741 . . . . 0.0 109.17 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 53.2 mt -87.86 136.46 32.95 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.071 -1.018 . . . . 0.0 109.285 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 95.8 t -132.98 107.3 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.569 -0.707 . . . . 0.0 109.149 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.474 ' CD ' ' N ' ' A' ' 120' ' ' SER . 0.0 OUTLIER -50.3 132.45 24.35 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.249 -0.907 . . . . 0.0 108.896 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.474 ' N ' ' CD ' ' A' ' 119' ' ' GLN . 5.2 m -138.83 -178.79 5.48 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.312 -0.867 . . . . 0.0 109.432 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.1 p -127.45 160.46 31.39 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.571 -0.706 . . . . 0.0 109.438 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.8 tp -54.59 -27.61 40.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.096 -1.002 . . . . 0.0 109.601 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.4 t -59.82 -47.14 86.93 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.905 -1.122 . . . . 0.0 109.258 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -55.86 -37.2 68.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.023 -1.048 . . . . 0.0 108.563 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 125' ' ' LEU . 5.3 tp -67.73 -32.21 72.68 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.964 -1.085 . . . . 0.0 109.476 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -64.01 -35.21 79.97 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.775 -1.203 . . . . 0.0 108.615 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 67.1 t -58.88 -35.96 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.1 -1.0 . . . . 0.0 108.688 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -90.02 -47.5 7.8 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.207 -0.933 . . . . 0.0 110.719 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' A' ' 131' ' ' ALA . 66.8 mt -117.97 45.77 1.9 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.473 -0.767 . . . . 0.0 110.278 -178.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.34 37.87 0.12 Allowed Glycine 0 N--CA 1.489 2.212 0 C-N-CA 119.799 -1.191 . . . . 0.0 110.247 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.86 -53.77 0.09 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.904 -1.35 . . . . 0.0 109.333 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.7 t -99.12 36.17 1.77 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.184 -0.947 . . . . 0.0 109.361 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.31 121.73 84.21 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.283 -0.885 . . . . 0.0 109.378 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -78.78 -173.98 2.09 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.055 1.837 . . . . 0.0 111.899 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -109.89 95.54 5.67 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.3 mt -62.33 142.61 57.69 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.673 0.749 . . . . 0.0 110.858 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 . . . . . 0 N--CA 1.497 1.895 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.204 179.412 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ATP . . . . . 1.129 ' O3G' ' N ' ' A' ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.99 152.92 96.61 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.239 -1.154 . . . . 0.0 109.087 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -72.7 133.96 21.24 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.325 2.016 . . . . 0.0 111.913 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -140.89 134.34 29.9 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.333 -0.854 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.0 -169.19 41.71 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -46.14 175.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.791 2.328 . . . . 0.0 112.253 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -175.94 60.64 0.11 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.89 69.39 6.22 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.734 2.289 . . . . 0.0 111.99 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.7 p -79.65 123.4 27.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.251 -0.906 . . . . 0.0 109.466 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -176.15 -98.39 0.11 Allowed Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.87 -173.56 43.42 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.95 -16.95 62.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.278 -1.131 . . . . 0.0 109.44 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.405 ' C ' ' H ' ' A' ' 31' ' ' GLY . 66.6 mt-30 -153.2 2.23 0.28 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.24 -0.913 . . . . 0.0 109.367 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.417 ' C ' ' H ' ' A' ' 32' ' ' SER . . . 75.51 -15.12 4.82 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 29' ' ' GLN . . . -77.61 21.55 3.03 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 30' ' ' GLY . 30.2 t -67.19 168.25 10.68 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.226 -1.161 . . . . 0.0 109.465 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.0 pt -71.54 176.12 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.307 -0.871 . . . . 0.0 109.488 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.515 ' O ' ' ND1' ' A' ' 34' ' ' HIS . 11.6 p80 -69.36 114.96 8.09 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.0 109.454 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.5 m -70.84 145.31 50.36 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.231 -0.918 . . . . 0.0 109.455 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 170.47 -116.69 0.66 Allowed Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.5 ttt-85 -170.06 148.18 3.35 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.318 -1.107 . . . . 0.0 109.455 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.8 mt -143.31 98.62 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.232 -0.917 . . . . 0.0 109.056 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -114.35 98.79 7.13 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.19 -174.38 4.43 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.279 -0.888 . . . . 0.0 109.635 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.2 t -75.12 144.01 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.449 -0.782 . . . . 0.0 109.108 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -152.14 146.94 25.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.323 -0.861 . . . . 0.0 109.735 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -84.47 96.14 9.02 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.2 p -89.87 125.06 62.06 Favored Pre-proline 0 N--CA 1.498 1.954 0 O-C-N 121.15 -0.969 . . . . 0.0 109.102 -179.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.647 ' HA ' HG22 ' A' ' 112' ' ' THR . 88.7 Cg_exo -47.24 141.2 13.76 Favored 'Trans proline' 0 N--CA 1.499 1.822 0 C-N-CA 121.909 1.739 . . . . 0.0 113.792 -179.262 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.8 mt -67.88 -31.27 70.96 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.475 -0.766 . . . . 0.0 109.119 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.0 t -67.72 -16.73 64.28 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.583 -0.698 . . . . 0.0 112.519 -177.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.5 m -111.44 24.5 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.285 0 O-C-N 120.656 -1.278 . . . . 0.0 110.993 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.53 126.06 37.44 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.74 -1.225 . . . . 0.0 109.041 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.7 mt -94.98 118.62 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.391 -0.818 . . . . 0.0 110.122 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.3 mtp-105 -135.11 95.22 15.22 Favored Pre-proline 0 N--CA 1.496 1.867 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -95.84 25.96 0.28 Allowed 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 122.841 2.361 . . . . 0.0 112.589 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tt -130.95 101.85 16.42 Favored Pre-proline 0 N--CA 1.502 2.163 0 O-C-N 121.303 -0.873 . . . . 0.0 109.894 -178.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -48.02 169.52 0.07 OUTLIER 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.942 1.761 . . . . 0.0 112.053 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.8 m -159.96 162.68 34.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.107 -0.996 . . . . 0.0 109.945 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -107.35 110.56 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 75.2 mt -92.43 146.56 23.59 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.191 -0.943 . . . . 0.0 110.773 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -108.42 139.88 21.21 Favored Pre-proline 0 N--CA 1.49 1.552 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -75.96 -19.04 16.26 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 122.085 1.857 . . . . 0.0 113.015 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.66 -42.62 17.91 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.944 -1.097 . . . . 0.0 110.265 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.83 ' HD3' ' H2 ' ' A' ' 1' ' ' ATP . 0.4 OUTLIER -72.21 -31.84 66.22 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.05 -1.032 . . . . 0.0 109.939 -179.043 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 64.8 t -68.06 -35.57 72.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.824 -1.173 . . . . 0.0 109.03 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -66.31 -40.55 90.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.229 -0.919 . . . . 0.0 108.631 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . 1.009 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 48.2 t -60.04 -39.63 86.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.29 -0.881 . . . . 0.0 109.235 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mt -74.67 -50.12 18.85 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.283 -0.886 . . . . 0.0 108.847 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.3 t -55.5 -30.88 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 O-C-N 121.194 -0.941 . . . . 0.0 108.675 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -76.52 -38.82 54.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.401 -0.812 . . . . 0.0 109.605 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.6 m -64.58 -51.67 61.57 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.416 -0.803 . . . . 0.0 109.379 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.5 mt -57.76 -40.9 78.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 121.406 -0.808 . . . . 0.0 109.196 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -76.97 -31.31 56.46 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.231 -0.918 . . . . 0.0 110.434 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -89.24 -35.46 16.17 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.838 -1.164 . . . . 0.0 110.128 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.432 ' OD1' ' OD2' ' A' ' 74' ' ' ASP . 37.4 t0 -156.61 97.32 2.16 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.221 -0.924 . . . . 0.0 109.317 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.91 -6.65 18.9 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 121.471 1.447 . . . . 0.0 113.06 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 75' ' ' SER . 1.5 p30 -88.13 -40.0 14.11 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.934 -1.104 . . . . 0.0 110.177 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.523 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 24.0 m -71.85 22.53 0.05 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.979 -1.076 . . . . 0.0 109.923 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.484 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.6 t -118.62 106.68 43.86 Favored Pre-proline 0 N--CA 1.499 1.998 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -76.27 162.07 34.28 Favored 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 121.616 1.544 . . . . 0.0 112.889 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -76.89 172.71 15.7 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.83 2.353 . . . . 0.0 112.193 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.459 HG22 HH21 ' A' ' 101' ' ' ARG . 4.4 pt -111.54 165.27 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -88.42 135.87 33.26 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.277 -0.89 . . . . 0.0 108.712 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.4 t -138.5 137.36 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.372 -0.83 . . . . 0.0 109.308 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.3 mt -87.23 131.59 34.17 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.418 -0.801 . . . . 0.0 109.444 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -111.69 110.04 20.22 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 27.3 mt -128.06 148.4 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 O-C-N 121.416 -0.803 . . . . 0.0 110.193 -178.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.514 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 27.3 mttp -107.63 158.36 17.31 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 121.742 0.782 . . . . 0.0 110.102 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.42 -167.92 32.69 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.71 -6.59 38.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.641 -0.917 . . . . 0.0 110.786 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -129.89 33.81 4.36 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.998 -1.064 . . . . 0.0 110.81 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.431 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 73.98 -13.84 4.11 Favored Glycine 0 N--CA 1.496 2.658 0 O-C-N 121.069 -1.019 . . . . 0.0 111.265 178.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.07 107.84 0.29 Allowed Glycine 0 N--CA 1.487 2.084 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.514 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 6.5 m-20 -75.84 133.07 40.71 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.521 -0.987 . . . . 0.0 109.444 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.6 m-85 -129.73 130.24 45.19 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -103.54 117.73 35.11 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.243 -0.911 . . . . 0.0 110.096 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -105.81 132.2 52.22 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.9 t -123.78 134.22 53.68 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.517 -0.739 . . . . 0.0 109.604 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -133.52 88.39 2.48 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 141.54 -165.02 26.54 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 44.88 22.89 0.5 Allowed Glycine 0 N--CA 1.495 2.605 0 O-C-N 121.169 -1.195 . . . . 0.0 110.49 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 97' ' ' GLY . 11.0 m -50.66 -49.85 56.1 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.865 -1.374 . . . . 0.0 109.653 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.721 ' ND1' ' O1G' ' A' ' 1' ' ' ATP . 38.2 m80 -66.93 -43.95 81.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.18 -0.95 . . . . 0.0 109.838 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.459 HH21 HG22 ' A' ' 79' ' ' ILE . 7.2 ttp180 -57.24 -28.06 62.59 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.971 -1.081 . . . . 0.0 109.261 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -71.26 -43.63 66.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.046 -1.034 . . . . 0.0 108.715 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.75 -39.89 90.4 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.271 -0.893 . . . . 0.0 109.736 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.46 -49.24 72.22 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.116 -0.99 . . . . 0.0 109.364 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -64.61 -43.7 92.92 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.203 -0.935 . . . . 0.0 108.538 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -61.97 -45.79 92.09 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.36 -0.837 . . . . 0.0 109.434 -179.802 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.416 ' C ' ' H ' ' A' ' 109' ' ' GLN . 33.7 tt0 -58.56 -40.27 82.6 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.413 -0.805 . . . . 0.0 110.071 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.4 mt -73.03 11.78 0.64 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.092 -1.005 . . . . 0.0 109.77 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' A' ' 107' ' ' GLN . 46.3 tt0 44.92 46.25 8.93 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.36 -0.838 . . . . 0.0 110.157 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 -85.85 160.65 19.38 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.065 -1.022 . . . . 0.0 108.852 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -82.89 -41.66 18.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.388 -0.82 . . . . 0.0 110.774 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.647 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.0 p -134.01 177.33 7.82 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.953 -1.092 . . . . 0.0 110.939 -178.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.4 tt -139.65 140.95 26.48 Favored Pre-proline 0 N--CA 1.502 2.155 0 O-C-N 121.667 -0.646 . . . . 0.0 110.143 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -67.05 131.07 24.32 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 120.817 1.011 . . . . 0.0 110.66 177.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.24 134.15 13.94 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.151 -0.968 . . . . 0.0 109.495 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.72 119.61 21.48 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.307 -0.871 . . . . 0.0 108.991 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 51.9 mt -78.83 138.47 38.18 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.195 -0.941 . . . . 0.0 109.174 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 52.9 t -133.78 102.07 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -58.28 123.63 16.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.219 -0.925 . . . . 0.0 108.973 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.5 m -130.65 -178.97 5.02 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.473 -0.767 . . . . 0.0 109.685 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.7 p -118.11 160.63 21.2 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-O 121.487 0.66 . . . . 0.0 109.418 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 32.0 tp -54.82 -34.35 62.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.143 -0.973 . . . . 0.0 109.853 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 72.2 m -54.49 -47.63 72.79 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.959 -1.088 . . . . 0.0 109.534 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -55.21 -43.21 74.26 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.09 -1.006 . . . . 0.0 109.034 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.7 -38.8 82.61 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.898 -1.126 . . . . 0.0 108.796 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -56.65 -35.75 68.74 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.251 -0.905 . . . . 0.0 109.288 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 99.8 t -59.42 -33.34 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.078 -1.014 . . . . 0.0 108.394 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -90.3 -48.87 6.87 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.364 -0.835 . . . . 0.0 110.771 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 131' ' ' ALA . 69.5 mt -116.78 45.1 1.9 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.517 -0.74 . . . . 0.0 110.193 -178.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.52 38.24 0.1 OUTLIER Glycine 0 N--CA 1.49 2.239 0 N-CA-C 110.359 -1.096 . . . . 0.0 110.359 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -155.37 -53.76 0.09 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.818 -1.401 . . . . 0.0 109.388 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.0 t -100.28 36.81 1.79 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.208 -0.933 . . . . 0.0 109.229 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.82 118.84 74.68 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.273 -0.892 . . . . 0.0 109.759 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -80.19 -174.84 2.42 Favored 'Trans proline' 0 N--CA 1.491 1.345 0 C-N-CA 121.84 1.693 . . . . 0.0 111.279 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -105.55 127.75 53.21 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.741 0.781 . . . . 0.0 109.016 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 97.5 mt -92.41 139.88 30.14 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.469 0.652 . . . . 0.0 110.17 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 . . . . . 0 N--CA 1.497 1.914 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.371 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ATP . . . . . 1.009 ' N6 ' ' OG ' ' A' ' 64' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -162.51 152.86 14.05 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.269 -1.136 . . . . 0.0 109.104 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -72.73 175.23 10.57 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.329 2.019 . . . . 0.0 111.981 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -166.49 -103.74 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.254 -0.904 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.93 70.78 0.27 Allowed Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -82.23 168.7 14.85 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.787 2.325 . . . . 0.0 112.112 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.06 -170.29 36.85 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -46.08 120.53 3.68 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.852 2.368 . . . . 0.0 112.278 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.6 m -78.5 -20.08 51.58 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.212 -0.93 . . . . 0.0 109.443 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.86 100.45 1.12 Allowed Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.03 92.29 1.14 Allowed Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.63 -55.68 5.0 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.238 -1.154 . . . . 0.0 109.487 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -73.34 161.96 29.88 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.202 -0.936 . . . . 0.0 109.432 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -179.32 -160.07 24.46 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 52.76 -147.91 13.84 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.8 p -74.53 150.67 39.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.254 -1.144 . . . . 0.0 109.444 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.0 mt -68.5 -51.92 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.205 -0.935 . . . . 0.0 109.429 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -75.44 148.02 39.44 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.204 -0.935 . . . . 0.0 109.486 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 55.9 p -160.87 125.51 3.62 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.234 -0.916 . . . . 0.0 109.51 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.41 163.88 35.29 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -70.02 139.02 52.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.289 -1.124 . . . . 0.0 109.471 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.7 mt -143.67 97.6 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.171 -0.956 . . . . 0.0 108.995 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.84 88.37 6.18 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.519 -0.738 . . . . 0.0 109.532 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.04 -174.43 4.43 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.301 -0.874 . . . . 0.0 109.562 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.7 t -74.97 143.89 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.451 -0.781 . . . . 0.0 109.001 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -152.01 145.05 24.53 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.275 -0.891 . . . . 0.0 109.837 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -84.66 94.09 8.56 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.0 p -86.77 125.21 67.66 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 121.154 -0.966 . . . . 0.0 109.298 -179.024 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.627 ' HA ' HG22 ' A' ' 112' ' ' THR . 71.6 Cg_exo -48.07 140.27 19.43 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 121.684 1.589 . . . . 0.0 113.314 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.25 -31.47 72.31 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.784 0.802 . . . . 0.0 109.502 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.4 p -63.88 -27.66 69.31 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.803 -0.56 . . . . 0.0 112.48 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.9 m -101.46 26.24 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.269 0 O-C-N 120.751 -1.218 . . . . 0.0 111.475 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 49' ' ' LEU . 73.3 mt -90.84 139.29 30.88 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.652 -1.28 . . . . 0.0 108.758 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.2 mt -106.95 116.74 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.56 -0.712 . . . . 0.0 109.902 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -133.33 95.24 18.48 Favored Pre-proline 0 N--CA 1.495 1.814 0 O-C-N 121.687 -0.633 . . . . 0.0 109.858 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -98.2 28.95 0.15 Allowed 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.987 2.458 . . . . 0.0 111.542 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.7 tt -141.9 88.23 9.52 Favored Pre-proline 0 N--CA 1.495 1.789 0 O-C-N 121.27 -0.894 . . . . 0.0 109.894 -178.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -48.01 169.19 0.08 OUTLIER 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.298 1.999 . . . . 0.0 111.917 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.6 m -158.19 164.67 36.32 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.071 -1.018 . . . . 0.0 110.081 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 56' ' ' VAL . 2.7 p -96.86 118.17 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 179.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.2 mt -100.52 146.58 26.92 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 122.04 0.924 . . . . 0.0 110.857 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.1 t70 -101.92 131.88 22.26 Favored Pre-proline 0 C--N 1.3 -1.573 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 178.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -74.75 -19.51 18.42 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 121.858 1.706 . . . . 0.0 112.576 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.525 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.39 -34.88 21.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.027 -1.046 . . . . 0.0 109.225 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.421 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 8.4 ttpt -74.12 -31.39 62.75 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.327 -0.858 . . . . 0.0 109.761 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.1 t -72.4 -35.89 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 120.988 -1.07 . . . . 0.0 109.063 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -64.48 -40.74 96.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.218 -0.926 . . . . 0.0 108.877 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.856 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 6.9 t -62.28 -37.68 86.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.236 -0.915 . . . . 0.0 109.364 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.6 mt -75.79 -44.76 39.76 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.287 -0.883 . . . . 0.0 109.046 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 37.5 t -55.49 -33.08 31.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -76.44 -37.56 56.79 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.383 -0.823 . . . . 0.0 110.111 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.6 m -65.21 -51.54 60.3 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.06 -1.025 . . . . 0.0 109.519 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.9 mt -56.18 -41.62 70.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.215 -0.928 . . . . 0.0 108.672 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.505 ' NE ' ' CD2' ' A' ' 108' ' ' LEU . 68.3 mtt180 -77.43 -27.29 52.2 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.345 -0.847 . . . . 0.0 110.475 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -90.09 -36.24 14.99 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.763 -1.21 . . . . 0.0 109.645 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -157.55 101.25 1.85 Allowed Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.231 -0.918 . . . . 0.0 109.282 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.48 -17.05 34.55 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 121.354 1.369 . . . . 0.0 113.07 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' A' ' 76' ' ' VAL . 43.1 m-20 -84.25 -28.24 27.35 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.855 -1.153 . . . . 0.0 110.286 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.6 m -74.65 17.39 0.21 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.898 -1.126 . . . . 0.0 109.412 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.462 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.2 t -131.2 104.39 15.06 Favored Pre-proline 0 N--CA 1.498 1.934 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -74.14 162.35 38.96 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 121.655 1.57 . . . . 0.0 112.931 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.21 169.45 20.66 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.79 2.327 . . . . 0.0 111.955 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.426 HG22 ' NH2' ' A' ' 101' ' ' ARG . 8.3 pt -106.7 165.08 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.61 -0.681 . . . . 0.0 109.754 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 80' ' ' ASP . 1.3 p-10 -88.27 132.93 34.19 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.7 t -136.47 135.21 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.28 -0.888 . . . . 0.0 109.668 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.9 mt -85.17 135.58 33.9 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.642 0.734 . . . . 0.0 109.153 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 8.4 t90 -115.7 115.97 27.27 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.4 mt -133.09 143.98 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 121.023 -1.048 . . . . 0.0 110.343 -178.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.502 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 0.6 OUTLIER -103.22 156.9 17.38 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.532 0.682 . . . . 0.0 109.606 -179.089 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.26 -167.81 31.54 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.866 -1.293 . . . . 0.0 109.866 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.63 -6.08 38.31 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.585 -0.95 . . . . 0.0 110.729 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -130.48 38.91 3.69 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.998 -1.064 . . . . 0.0 110.896 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.63 -13.13 1.27 Allowed Glycine 0 N--CA 1.493 2.447 0 O-C-N 121.173 -0.954 . . . . 0.0 111.746 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.518 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -51.62 109.14 0.74 Allowed Glycine 0 N--CA 1.486 2.009 0 O-C-N 120.764 -1.433 . . . . 0.0 109.632 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.502 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 5.3 m-20 -78.07 134.45 37.74 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.421 -1.046 . . . . 0.0 108.968 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.518 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.1 m-85 -128.44 126.01 39.69 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -100.77 121.35 41.52 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.211 -0.931 . . . . 0.0 109.992 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -108.81 132.55 53.88 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.718 -0.614 . . . . 0.0 109.694 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.3 130.26 52.49 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.586 -0.696 . . . . 0.0 109.307 178.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -131.08 90.01 2.82 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.13 -1.434 . . . . 0.0 107.13 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 135.97 -162.54 25.01 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 108.449 -1.86 . . . . 0.0 108.449 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.606 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 45.35 16.41 0.1 OUTLIER Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.673 ' HB2' ' O1G' ' A' ' 1' ' ' ATP . 6.8 m -49.69 -48.98 49.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.164 -1.198 . . . . 0.0 109.977 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.703 ' H ' ' PG ' ' A' ' 1' ' ' ATP . 39.2 m80 -67.04 -43.72 82.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.032 -1.042 . . . . 0.0 109.644 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.426 ' NH2' HG22 ' A' ' 79' ' ' ILE . 27.9 mtm180 -60.05 -29.31 68.45 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.924 -1.11 . . . . 0.0 109.056 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -68.92 -42.09 77.25 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.98 90.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.296 -0.878 . . . . 0.0 109.528 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.3 93.6 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.168 -0.957 . . . . 0.0 109.449 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -67.5 -44.26 78.89 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.242 -0.912 . . . . 0.0 108.759 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -60.09 -50.95 71.67 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.347 -0.846 . . . . 0.0 109.509 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.467 ' C ' ' H ' ' A' ' 109' ' ' GLN . 15.1 tm0? -56.6 -42.89 79.53 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.371 -0.831 . . . . 0.0 110.143 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.505 ' CD2' ' NE ' ' A' ' 70' ' ' ARG . 86.9 mt -67.61 7.77 0.44 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.102 -0.999 . . . . 0.0 109.621 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.467 ' H ' ' C ' ' A' ' 107' ' ' GLN . 44.6 tt0 45.45 42.51 7.79 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.332 -0.855 . . . . 0.0 110.109 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 27.0 mmt-85 -80.66 159.96 25.17 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.051 -1.031 . . . . 0.0 108.779 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -81.17 -41.49 22.3 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.447 -0.783 . . . . 0.0 110.624 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.627 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.4 p -133.44 177.86 7.36 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 120.973 -1.079 . . . . 0.0 110.975 -178.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.6 tt -138.93 141.1 29.12 Favored Pre-proline 0 N--CA 1.502 2.15 0 O-C-N 121.709 -0.619 . . . . 0.0 109.921 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.12 131.69 25.9 Favored 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 120.926 1.084 . . . . 0.0 110.89 177.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.92 134.56 13.62 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.113 -0.992 . . . . 0.0 109.728 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.2 115.41 18.85 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.402 -0.811 . . . . 0.0 109.283 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 52.8 mt -79.66 134.35 36.42 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.018 -1.051 . . . . 0.0 109.53 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 44.0 t -138.15 101.64 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.759 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 0.1 OUTLIER -53.07 133.63 38.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.151 -0.968 . . . . 0.0 109.603 -179.4 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -134.64 -177.77 4.76 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.0 p -116.45 159.0 22.66 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-O 121.718 0.77 . . . . 0.0 109.826 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 30.2 tp -55.28 -28.91 56.66 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.242 -0.911 . . . . 0.0 109.69 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 73.6 m -58.39 -48.05 81.89 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.959 -1.088 . . . . 0.0 109.319 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.16 -38.43 68.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.142 -0.974 . . . . 0.0 108.587 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 125' ' ' LEU . 6.0 tp -66.06 -31.83 72.94 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.9 -1.125 . . . . 0.0 109.095 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -62.32 -35.58 79.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.922 -1.111 . . . . 0.0 108.965 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.78 -34.86 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 O-C-N 121.191 -0.943 . . . . 0.0 108.599 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -90.16 -47.84 7.55 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.274 -0.891 . . . . 0.0 110.949 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 131' ' ' ALA . 65.9 mt -117.29 43.99 2.21 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.505 -0.747 . . . . 0.0 110.481 -177.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.91 37.9 0.1 Allowed Glycine 0 N--CA 1.488 2.109 0 C-N-CA 119.896 -1.145 . . . . 0.0 110.346 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.62 -54.83 0.11 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.882 -1.364 . . . . 0.0 109.306 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.4 p -99.86 35.26 2.07 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.254 -0.904 . . . . 0.0 109.223 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.62 121.39 85.14 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.316 -0.865 . . . . 0.0 109.455 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -79.59 -173.95 2.07 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.093 1.862 . . . . 0.0 111.786 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -110.29 95.75 5.78 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.7 141.43 57.85 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 121.704 0.764 . . . . 0.0 110.799 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.136 179.372 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ATP . . . . . 0.856 ' N6 ' ' OG ' ' A' ' 64' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.469 -1.453 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.32 153.12 70.13 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.266 -1.138 . . . . 0.0 109.108 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -36.83 127.09 0.47 Allowed 'Trans proline' 0 C--N 1.314 -1.26 0 C-N-CA 122.418 2.079 . . . . 0.0 112.425 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -166.66 167.09 15.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.217 -0.927 . . . . 0.0 109.472 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -174.54 -68.52 0.05 OUTLIER Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.2 173.62 14.2 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.794 2.33 . . . . 0.0 111.997 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 175.56 60.29 0.06 OUTLIER Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.479 ' C ' ' H ' ' A' ' 26' ' ' GLY . 72.2 Cg_endo -75.54 134.92 17.49 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.752 2.301 . . . . 0.0 111.955 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.1 m -72.64 37.37 0.08 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.253 -0.905 . . . . 0.0 109.47 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' A' ' 24' ' ' PRO . . . -65.4 94.96 0.2 Allowed Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.54 -82.28 0.08 OUTLIER Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.06 -54.56 5.88 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.275 -1.132 . . . . 0.0 109.467 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -143.2 -105.14 0.13 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.314 -0.866 . . . . 0.0 109.221 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 160.77 -136.76 4.62 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.16 -155.36 40.21 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.1 m -160.73 135.71 7.66 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.206 -1.173 . . . . 0.0 109.445 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.662 ' H ' HD13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -86.56 87.79 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.215 -0.928 . . . . 0.0 108.976 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -170.02 78.55 0.1 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.255 -0.903 . . . . 0.0 109.481 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -170.01 -22.4 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.218 -0.926 . . . . 0.0 109.511 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.01 -59.77 2.22 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 38' ' ' ILE . 51.0 ttp180 -49.65 162.11 0.18 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.228 -1.16 . . . . 0.0 109.451 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.405 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 20.8 mt -143.07 97.72 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.262 -0.898 . . . . 0.0 109.097 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.13 109.06 20.9 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.607 -0.683 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -151.94 -174.92 5.02 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.254 -0.904 . . . . 0.0 109.793 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.1 t -75.66 144.6 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.495 -0.753 . . . . 0.0 109.083 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -152.5 143.02 22.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.343 -0.848 . . . . 0.0 109.583 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -80.21 93.72 5.92 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.5 p -86.18 123.82 71.12 Favored Pre-proline 0 N--CA 1.496 1.83 0 O-C-N 121.219 -0.926 . . . . 0.0 109.283 -179.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.642 ' HA ' HG22 ' A' ' 112' ' ' THR . 86.4 Cg_exo -47.18 141.72 12.78 Favored 'Trans proline' 0 N--CA 1.498 1.784 0 C-N-CA 121.859 1.706 . . . . 0.0 113.624 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 mt -68.54 -29.34 67.89 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.495 -0.753 . . . . 0.0 109.24 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 t -72.18 -12.81 61.35 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.475 -0.765 . . . . 0.0 112.707 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.0 m -112.79 25.59 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.282 0 O-C-N 120.625 -1.297 . . . . 0.0 110.752 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.2 mt -95.63 133.31 39.83 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.831 -1.168 . . . . 0.0 109.085 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 97.0 mt -99.0 116.62 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.388 -0.82 . . . . 0.0 109.503 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -132.57 96.13 19.23 Favored Pre-proline 0 N--CA 1.498 1.93 0 O-C-N 121.583 -0.698 . . . . 0.0 109.536 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.679 ' O ' HD12 ' A' ' 53' ' ' LEU . 20.4 Cg_endo -96.93 26.82 0.22 Allowed 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 123.137 2.558 . . . . 0.0 112.347 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.679 HD12 ' O ' ' A' ' 52' ' ' PRO . 1.4 mp -138.95 114.02 8.43 Favored Pre-proline 0 N--CA 1.499 1.975 0 O-C-N 121.285 -0.884 . . . . 0.0 108.979 -178.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.93 165.11 28.94 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 121.795 1.663 . . . . 0.0 111.712 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.6 m -149.23 165.5 31.71 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.061 -1.024 . . . . 0.0 109.904 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -95.9 109.82 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.0 mt -89.26 146.59 24.63 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 122.227 1.013 . . . . 0.0 110.965 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.6 t70 -104.86 133.93 19.9 Favored Pre-proline 0 C--N 1.3 -1.587 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.55 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 68.7 Cg_endo -73.64 -23.63 16.75 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.775 1.65 . . . . 0.0 112.713 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.488 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -81.63 -34.27 30.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.855 -1.153 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -75.63 -30.49 59.52 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.464 -0.772 . . . . 0.0 110.049 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.8 t -73.14 -51.45 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 120.818 -1.176 . . . . 0.0 108.33 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -50.28 -40.28 47.82 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.44 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.626 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 37.6 t -61.54 -41.01 96.71 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.256 -0.903 . . . . 0.0 109.445 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.2 mt -74.17 -46.16 43.99 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.303 -0.873 . . . . 0.0 108.892 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.0 t -55.72 -34.13 35.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.207 -0.933 . . . . 0.0 108.601 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -76.25 -33.71 59.17 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.421 -0.799 . . . . 0.0 109.532 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.8 m -67.33 -51.42 52.65 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.192 -0.943 . . . . 0.0 109.43 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.2 mt -58.56 -40.79 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.38 -0.825 . . . . 0.0 109.267 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -76.93 -32.84 57.64 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.203 -0.935 . . . . 0.0 110.298 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -88.96 -33.94 17.05 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.835 -1.165 . . . . 0.0 110.323 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.429 ' OD2' ' OD2' ' A' ' 74' ' ' ASP . 22.5 t70 -158.4 97.39 1.8 Allowed Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.158 -0.964 . . . . 0.0 109.509 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.04 -1.57 11.58 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 121.693 1.595 . . . . 0.0 112.951 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 76' ' ' VAL . 1.5 p-10 -88.94 -41.71 12.24 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.944 -1.098 . . . . 0.0 110.054 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.5 t -71.96 24.45 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.067 -1.021 . . . . 0.0 109.86 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.483 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.4 t -126.97 102.82 24.2 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 121.254 -0.904 . . . . 0.0 108.692 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -77.5 162.2 30.73 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.767 1.644 . . . . 0.0 112.934 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.72 170.97 19.08 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 122.782 2.322 . . . . 0.0 112.144 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.428 HG22 HH21 ' A' ' 101' ' ' ARG . 7.3 pt -107.18 167.4 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.663 -0.648 . . . . 0.0 109.47 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 81' ' ' VAL . 13.6 t0 -91.63 137.84 32.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.204 -0.935 . . . . 0.0 108.553 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.44 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 16.1 t -138.69 137.86 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.531 -0.73 . . . . 0.0 109.219 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.2 mt -86.83 127.35 35.02 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.467 -0.771 . . . . 0.0 109.884 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -106.32 111.41 23.98 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.2 mt -126.47 145.01 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.38 -0.825 . . . . 0.0 110.087 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.585 ' HZ3' ' CG ' ' A' ' 91' ' ' ASP . 2.2 tttp -104.01 156.21 18.04 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.486 0.66 . . . . 0.0 110.292 -178.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.18 -174.68 37.58 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.45 -6.25 18.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.681 -0.893 . . . . 0.0 110.893 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -130.25 37.93 3.83 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.057 -1.027 . . . . 0.0 110.772 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.21 -13.23 2.04 Favored Glycine 0 N--CA 1.492 2.404 0 O-C-N 121.079 -1.013 . . . . 0.0 111.58 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.421 ' O ' ' CE1' ' A' ' 92' ' ' TYR . . . -50.94 111.1 1.14 Allowed Glycine 0 N--CA 1.486 1.999 0 O-C-N 120.785 -1.421 . . . . 0.0 109.598 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.585 ' CG ' ' HZ3' ' A' ' 85' ' ' LYS . 14.2 m-20 -79.76 133.0 36.3 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.539 -0.977 . . . . 0.0 109.963 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.421 ' CE1' ' O ' ' A' ' 90' ' ' GLY . 94.8 m-85 -126.05 149.29 48.97 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -122.66 119.14 29.86 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.283 -0.886 . . . . 0.0 110.263 -178.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -108.41 131.92 54.29 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.0 t -125.82 134.74 51.57 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -133.82 88.4 2.47 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 141.96 -161.64 27.14 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.05 24.99 0.9 Allowed Glycine 0 N--CA 1.494 2.551 0 O-C-N 121.247 -1.149 . . . . 0.0 110.357 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.555 ' SG ' ' O3G' ' A' ' 1' ' ' ATP . 4.9 m -52.2 -51.23 59.4 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.904 -1.351 . . . . 0.0 109.73 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.669 ' ND1' ' O1G' ' A' ' 1' ' ' ATP . 48.7 m80 -67.83 -49.26 63.2 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.261 -0.9 . . . . 0.0 109.727 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.428 HH21 HG22 ' A' ' 79' ' ' ILE . 8.6 ttp180 -53.74 -29.81 41.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.028 -1.045 . . . . 0.0 109.208 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -70.75 -42.83 69.94 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.129 -0.982 . . . . 0.0 108.795 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.34 -48.31 82.13 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.265 -0.897 . . . . 0.0 109.88 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.11 -44.47 74.99 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.042 -1.036 . . . . 0.0 109.322 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -69.36 -41.4 76.62 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.306 -0.872 . . . . 0.0 108.992 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -64.42 -34.73 78.85 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.215 -0.928 . . . . 0.0 110.038 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.486 ' C ' ' H ' ' A' ' 109' ' ' GLN . 55.3 tt0 -73.0 -41.93 63.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.2 -0.938 . . . . 0.0 109.836 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.83 9.31 0.19 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.304 -0.873 . . . . 0.0 109.896 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.486 ' H ' ' C ' ' A' ' 107' ' ' GLN . 19.0 tp60 46.57 43.17 12.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.225 -0.922 . . . . 0.0 109.898 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -82.52 159.17 22.89 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.169 -0.957 . . . . 0.0 108.977 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.417 ' CD ' ' N ' ' A' ' 111' ' ' GLU . 16.4 mp0 -82.51 -40.65 20.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.406 -0.809 . . . . 0.0 110.839 -179.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.642 HG22 ' HA ' ' A' ' 45' ' ' PRO . 36.4 p -133.86 177.88 7.38 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.981 -1.074 . . . . 0.0 110.757 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.21 141.11 28.37 Favored Pre-proline 0 N--CA 1.503 2.199 0 O-C-N 121.688 -0.633 . . . . 0.0 110.013 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.38 130.27 23.44 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 120.919 1.079 . . . . 0.0 110.917 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.52 133.32 14.01 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.137 -0.977 . . . . 0.0 109.626 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -78.98 111.74 15.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.361 -0.837 . . . . 0.0 108.854 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 65.9 mt -71.82 138.56 48.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.931 -1.106 . . . . 0.0 109.16 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.0 t -133.88 101.94 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.43 126.58 25.74 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.205 -0.935 . . . . 0.0 109.068 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.0 m -134.28 -179.41 5.55 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.398 -0.814 . . . . 0.0 109.646 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.7 p -119.07 160.26 22.38 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 121.568 0.699 . . . . 0.0 109.498 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.2 tp -55.5 -26.09 40.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.175 -0.953 . . . . 0.0 109.941 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.8 t -61.27 -49.47 76.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.888 -1.132 . . . . 0.0 109.683 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -55.05 -41.07 70.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.088 -1.007 . . . . 0.0 109.018 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.9 tp -59.55 -39.55 84.4 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 120.907 -1.121 . . . . 0.0 108.928 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.3 ttm105 -56.31 -36.93 69.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.167 -0.958 . . . . 0.0 109.249 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 97.4 t -58.63 -33.13 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 121.175 -0.953 . . . . 0.0 108.506 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -90.6 -48.65 6.95 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.262 -0.899 . . . . 0.0 110.828 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' A' ' 131' ' ' ALA . 65.6 mt -117.48 45.25 1.96 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.473 -0.767 . . . . 0.0 110.211 -178.114 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.71 38.89 0.1 Allowed Glycine 0 N--CA 1.489 2.215 0 C-N-CA 119.989 -1.101 . . . . 0.0 110.381 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.54 -58.05 0.12 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.806 -1.408 . . . . 0.0 109.519 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.8 m -98.95 36.94 1.6 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.118 -0.989 . . . . 0.0 109.233 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.62 118.66 71.86 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.286 -0.884 . . . . 0.0 109.797 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -79.4 -174.32 2.23 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.87 1.713 . . . . 0.0 111.32 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -108.0 127.66 53.96 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.434 -0.791 . . . . 0.0 109.045 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 96.7 mt -92.61 138.84 31.15 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.42 0.629 . . . . 0.0 110.197 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 . . . . . 0 N--CA 1.495 1.793 0 CA-C-O 117.878 -1.058 . . . . 0.0 109.044 179.389 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ATP . . . . . 0.669 ' O1G' ' ND1' ' A' ' 100' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.31 152.84 88.09 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 121.253 -1.145 . . . . 0.0 109.08 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -72.76 -161.98 0.12 Allowed 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 122.313 2.009 . . . . 0.0 111.942 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -153.13 152.84 31.74 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.272 -0.892 . . . . 0.0 109.369 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.86 170.32 0.17 Allowed Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.24 99.61 1.28 Allowed 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.806 2.337 . . . . 0.0 111.991 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.19 -169.45 0.36 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -46.11 161.86 0.14 Allowed 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.812 2.341 . . . . 0.0 112.28 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.1 t -78.85 -165.48 0.74 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.274 -0.891 . . . . 0.0 109.449 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.93 -159.33 22.55 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.23 140.46 3.66 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.64 -34.01 53.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.283 -1.128 . . . . 0.0 109.477 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -74.83 54.62 0.65 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.253 -0.904 . . . . 0.0 109.485 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 174.05 -72.83 0.09 OUTLIER Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.58 -16.61 7.71 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 t -167.81 126.36 1.24 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.285 -1.126 . . . . 0.0 109.484 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.524 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 20.4 pt -73.72 -171.41 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.213 -0.929 . . . . 0.0 109.46 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 33' ' ' ILE . 49.1 m80 -159.6 114.89 2.43 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.244 -0.91 . . . . 0.0 109.449 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.7 p -74.22 -103.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.301 -0.874 . . . . 0.0 109.473 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.81 83.03 0.12 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.31 96.17 0.64 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.226 -1.161 . . . . 0.0 109.431 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.3 mt -143.9 97.47 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.285 -0.884 . . . . 0.0 108.959 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.91 86.91 7.2 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.502 -0.749 . . . . 0.0 109.495 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.27 -174.18 4.38 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.371 -0.831 . . . . 0.0 109.397 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.2 t -74.65 142.66 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.431 -0.793 . . . . 0.0 109.01 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -150.01 145.73 26.59 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.438 -0.789 . . . . 0.0 109.786 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -84.62 94.21 8.56 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.427 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.1 p -87.81 125.0 66.24 Favored Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.185 -0.947 . . . . 0.0 109.198 -179.141 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.64 ' HA ' HG22 ' A' ' 112' ' ' THR . 71.4 Cg_exo -48.23 140.12 20.49 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 121.78 1.653 . . . . 0.0 113.524 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.48 -31.7 72.6 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.834 0.826 . . . . 0.0 109.298 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.9 p -62.03 -28.46 69.6 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.806 -0.558 . . . . 0.0 112.146 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.8 m -101.62 24.97 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 120.85 -1.156 . . . . 0.0 111.393 -178.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.3 mt -91.86 126.18 36.85 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.698 -1.251 . . . . 0.0 108.867 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.8 mt -93.95 118.68 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.401 -0.812 . . . . 0.0 110.194 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -134.15 95.33 16.89 Favored Pre-proline 0 N--CA 1.494 1.77 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -97.43 30.53 0.15 Allowed 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 123.103 2.535 . . . . 0.0 112.004 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tp -140.55 124.72 10.63 Favored Pre-proline 0 N--CA 1.498 1.942 0 O-C-N 121.212 -0.93 . . . . 0.0 109.066 -178.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -76.55 167.12 26.13 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.94 1.76 . . . . 0.0 111.787 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.9 m -155.78 162.12 40.55 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.06 -1.025 . . . . 0.0 109.879 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 56' ' ' VAL . 2.8 p -99.81 116.98 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.2 mt -98.67 145.89 26.42 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 122.234 1.016 . . . . 0.0 110.826 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -100.81 133.56 21.05 Favored Pre-proline 0 C--N 1.298 -1.636 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.095 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -75.74 -16.75 18.45 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 122.002 1.801 . . . . 0.0 113.145 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.541 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -86.89 -43.02 12.75 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.999 -1.063 . . . . 0.0 109.994 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -70.66 -31.88 68.95 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.269 -0.894 . . . . 0.0 109.677 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.7 t -68.4 -35.94 72.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.922 -1.111 . . . . 0.0 108.968 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -66.73 -35.6 80.49 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.545 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 36.0 t -65.94 -38.0 87.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.34 -0.85 . . . . 0.0 109.216 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.54 -46.63 30.99 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.235 -0.915 . . . . 0.0 108.68 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.7 t -55.17 -34.64 33.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.72 -33.43 58.17 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.467 -0.771 . . . . 0.0 109.622 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.0 m -67.61 -51.74 46.67 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.145 -0.972 . . . . 0.0 109.402 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.625 ' CG2' HH12 ' A' ' 110' ' ' ARG . 16.7 mt -57.9 -41.4 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.376 -0.827 . . . . 0.0 109.151 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.498 ' NE ' HD22 ' A' ' 108' ' ' LEU . 59.7 mtt180 -77.04 -32.56 57.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.276 -0.89 . . . . 0.0 110.373 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -86.11 -35.66 20.07 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.845 -1.159 . . . . 0.0 109.855 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -159.41 100.67 1.54 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.231 -0.918 . . . . 0.0 109.439 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.6 -8.7 21.94 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.522 1.482 . . . . 0.0 113.175 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.41 ' C ' ' H ' ' A' ' 76' ' ' VAL . 51.3 m-20 -86.39 -29.99 22.48 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.788 -1.195 . . . . 0.0 110.436 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.3 p -77.9 21.27 0.32 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.862 -1.148 . . . . 0.0 109.401 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.41 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.1 t -126.98 103.83 23.36 Favored Pre-proline 0 N--CA 1.499 2.003 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -75.9 162.21 35.1 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 121.75 1.633 . . . . 0.0 113.031 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.18 172.37 16.14 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.852 2.368 . . . . 0.0 112.116 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 pt -112.5 165.91 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -88.82 135.58 33.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.266 -0.896 . . . . 0.0 108.731 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.0 t -136.96 138.74 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.438 -0.789 . . . . 0.0 109.191 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 mt -86.53 127.76 34.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.467 -0.771 . . . . 0.0 110.122 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -104.34 111.06 23.54 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 84' ' ' ILE . 19.1 mt -127.82 140.75 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.358 -0.839 . . . . 0.0 109.74 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.618 ' HZ1' ' CG ' ' A' ' 91' ' ' ASP . 4.9 tttp -104.62 156.35 18.05 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.681 -0.637 . . . . 0.0 109.478 -179.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.74 -169.79 31.25 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.6 -7.15 36.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.699 -0.883 . . . . 0.0 110.778 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -129.91 39.3 3.71 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.07 -1.019 . . . . 0.0 110.806 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.433 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 67.67 -10.98 0.95 Allowed Glycine 0 N--CA 1.493 2.48 0 O-C-N 121.125 -0.984 . . . . 0.0 111.674 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -51.99 109.47 0.86 Allowed Glycine 0 N--CA 1.487 2.053 0 O-C-N 120.739 -1.448 . . . . 0.0 109.712 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.618 ' CG ' ' HZ1' ' A' ' 85' ' ' LYS . 3.9 m-20 -77.49 134.3 38.37 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.423 -1.045 . . . . 0.0 109.053 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.1 m-85 -128.95 125.41 37.43 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -102.2 117.26 34.39 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.256 -0.902 . . . . 0.0 110.136 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -105.6 134.11 49.24 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.69 135.79 52.5 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.521 -0.737 . . . . 0.0 109.279 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -135.51 90.63 2.63 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 135.51 -162.53 24.89 Favored Glycine 0 N--CA 1.496 2.638 0 N-CA-C 108.754 -1.739 . . . . 0.0 108.754 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.616 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 45.2 24.91 0.99 Allowed Glycine 0 N--CA 1.495 2.573 0 O-C-N 121.16 -1.2 . . . . 0.0 110.372 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.5 m -58.09 -55.54 33.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.913 -1.345 . . . . 0.0 109.93 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -55.24 -39.74 70.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.04 -1.037 . . . . 0.0 109.596 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.708 ' NH2' ' O1A' ' A' ' 1' ' ' ATP . 43.7 mtm180 -67.46 -31.16 71.13 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.016 -1.053 . . . . 0.0 109.435 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 102' ' ' TYR . 14.5 t80 -66.86 -42.17 86.08 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.955 -1.091 . . . . 0.0 108.515 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.07 -42.77 95.28 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.327 -0.858 . . . . 0.0 109.723 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.13 -46.36 89.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.188 -0.945 . . . . 0.0 109.531 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -68.9 -41.74 77.82 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.183 -0.948 . . . . 0.0 109.057 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.1 -33.32 75.22 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.268 -0.895 . . . . 0.0 109.38 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.459 ' C ' ' H ' ' A' ' 109' ' ' GLN . 29.1 tt0 -70.89 -41.95 70.65 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.342 -0.849 . . . . 0.0 109.514 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.498 HD22 ' NE ' ' A' ' 70' ' ' ARG . 93.4 mt -72.05 12.67 0.38 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.208 -0.932 . . . . 0.0 109.444 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.459 ' H ' ' C ' ' A' ' 107' ' ' GLN . 50.1 mm-40 46.82 32.96 1.95 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.384 -0.822 . . . . 0.0 110.267 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.625 HH12 ' CG2' ' A' ' 69' ' ' ILE . 21.7 mmt85 -68.76 156.33 38.5 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.927 -1.108 . . . . 0.0 108.58 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.406 ' CD ' ' N ' ' A' ' 111' ' ' GLU . 5.5 mp0 -80.75 -41.02 24.21 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.406 -0.809 . . . . 0.0 110.694 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.64 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.0 p -133.95 177.4 7.75 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.031 -1.043 . . . . 0.0 110.58 -178.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.58 141.44 28.34 Favored Pre-proline 0 N--CA 1.503 2.179 0 O-C-N 121.742 -0.599 . . . . 0.0 109.718 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -67.47 130.23 21.87 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 CA-C-N 120.018 1.042 . . . . 0.0 110.754 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -149.0 133.38 17.51 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.198 -0.939 . . . . 0.0 109.713 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -78.52 115.37 18.18 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.522 -0.736 . . . . 0.0 109.169 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 49.3 mt -80.55 135.09 36.03 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.082 -1.012 . . . . 0.0 109.292 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 64.4 t -136.21 111.8 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.467 -0.771 . . . . 0.0 109.025 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.6 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -49.77 131.66 21.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.228 -0.92 . . . . 0.0 109.422 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.4 m -134.27 -179.53 5.63 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.481 -0.762 . . . . 0.0 109.141 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.1 p -127.89 160.68 31.08 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.594 -0.691 . . . . 0.0 109.338 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.4 tp -55.89 -36.5 67.71 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.17 -0.956 . . . . 0.0 109.746 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.3 t -54.54 -45.98 73.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.883 -1.135 . . . . 0.0 109.505 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.22 -46.93 75.96 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.144 -0.973 . . . . 0.0 108.462 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.1 tp -58.86 -38.41 78.7 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.97 -1.081 . . . . 0.0 108.952 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.9 ttt-85 -56.59 -35.33 68.09 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.223 -0.923 . . . . 0.0 109.211 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 81.6 t -59.44 -33.72 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -90.47 -48.7 6.94 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.301 -0.874 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 131' ' ' ALA . 65.9 mt -115.7 44.12 1.95 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.431 -0.793 . . . . 0.0 110.319 -178.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.79 39.0 0.1 Allowed Glycine 0 N--CA 1.488 2.131 0 C-N-CA 119.944 -1.122 . . . . 0.0 110.37 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.6 -57.77 0.12 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.806 -1.408 . . . . 0.0 109.623 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.4 m -98.72 36.55 1.64 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.077 -1.015 . . . . 0.0 109.26 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.1 119.04 75.07 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.404 -0.81 . . . . 0.0 109.884 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -81.33 -174.33 2.16 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.029 1.819 . . . . 0.0 111.422 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -106.09 130.18 54.04 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.425 -0.797 . . . . 0.0 109.001 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.1 mt -89.84 137.06 32.65 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.525 0.678 . . . . 0.0 110.331 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.289 179.678 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ATP . . . . . 0.708 ' O1A' ' NH2' ' A' ' 101' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -167.91 153.23 6.78 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.215 -1.168 . . . . 0.0 109.059 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -36.93 -68.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.314 -1.257 0 C-N-CA 122.446 2.097 . . . . 0.0 112.42 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -75.64 97.15 3.72 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.266 -0.896 . . . . 0.0 109.474 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.99 -59.89 9.98 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -45.87 136.49 13.31 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.748 2.299 . . . . 0.0 112.239 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.7 -178.01 25.04 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -46.11 -67.65 0.11 Allowed 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.758 2.305 . . . . 0.0 112.3 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.8 t -76.92 -173.13 2.57 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.229 -0.919 . . . . 0.0 109.432 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.92 39.19 0.02 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.77 -149.48 6.21 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.94 -16.9 56.35 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -1.149 . . . . 0.0 109.499 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.44 ' C ' ' H ' ' A' ' 31' ' ' GLY . 87.5 mt-30 -58.0 -47.37 83.22 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.247 -0.908 . . . . 0.0 109.504 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -76.32 29.74 1.42 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 29' ' ' GLN . . . -78.85 2.49 68.64 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 31' ' ' GLY . 29.5 m -50.6 177.82 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.181 -1.188 . . . . 0.0 109.472 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.49 HG23 ' N ' ' A' ' 34' ' ' HIS . 15.6 tt -169.84 -40.14 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.29 -0.881 . . . . 0.0 109.47 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.49 ' N ' HG23 ' A' ' 33' ' ' ILE . 33.5 m80 -79.28 100.47 7.56 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.273 -0.892 . . . . 0.0 109.472 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.1 m -170.03 117.12 0.55 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.253 -0.904 . . . . 0.0 109.482 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 160.37 12.46 0.04 OUTLIER Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.459 -1.457 . . . . 0.0 109.459 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -170.05 146.7 3.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.274 -1.133 . . . . 0.0 109.471 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.2 mt -143.52 97.64 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.217 -0.927 . . . . 0.0 109.025 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.14 91.99 7.06 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.461 -0.774 . . . . 0.0 109.386 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.32 -174.12 4.12 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.336 -0.852 . . . . 0.0 109.384 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.2 t -74.62 141.35 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.344 -0.847 . . . . 0.0 108.787 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -145.88 147.58 31.93 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.23 -0.918 . . . . 0.0 109.781 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -84.3 93.09 8.15 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.6 p -88.05 122.61 69.87 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.188 -0.945 . . . . 0.0 108.672 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.664 ' HA ' HG22 ' A' ' 112' ' ' THR . 56.7 Cg_exo -47.06 143.02 10.53 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 121.683 1.588 . . . . 0.0 113.39 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.2 mt -69.98 -29.59 66.73 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.262 -0.899 . . . . 0.0 109.174 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.1 t -71.64 -12.22 61.23 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.516 -0.74 . . . . 0.0 112.54 -177.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 m -113.84 26.22 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.239 0 O-C-N 120.652 -1.28 . . . . 0.0 110.674 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.4 mt -97.78 123.46 41.73 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.974 -1.079 . . . . 0.0 108.908 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.2 mt -87.93 118.88 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.255 -0.903 . . . . 0.0 109.992 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.0 mtp-105 -133.96 93.44 20.28 Favored Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 121.759 -0.588 . . . . 0.0 109.508 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -99.38 29.52 0.13 Allowed 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 123.169 2.58 . . . . 0.0 112.175 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tt -142.03 88.15 9.42 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 121.155 -0.966 . . . . 0.0 109.897 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -48.64 169.51 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.299 1.999 . . . . 0.0 111.964 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m -158.02 165.6 34.66 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.138 -0.977 . . . . 0.0 110.026 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 56' ' ' VAL . 2.8 p -95.97 116.76 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.0 mt -96.51 146.2 25.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.106 -0.996 . . . . 0.0 111.028 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -98.85 134.35 21.61 Favored Pre-proline 0 C--N 1.298 -1.632 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.002 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -76.63 -16.18 16.85 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.922 1.748 . . . . 0.0 113.125 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.54 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -87.27 -44.18 11.63 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.866 -1.146 . . . . 0.0 110.036 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -31.6 70.94 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.278 -0.888 . . . . 0.0 109.624 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.8 t -67.5 -53.6 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.993 -1.067 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.08 -38.67 65.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.208 -0.933 . . . . 0.0 109.043 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.752 ' OG ' ' N1 ' ' A' ' 1' ' ' ATP . 9.5 t -61.57 -37.73 84.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -0.888 . . . . 0.0 109.34 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.55 -47.86 24.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.294 -0.879 . . . . 0.0 108.852 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.6 t -54.41 -28.7 19.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -75.16 -41.8 57.39 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.482 -0.761 . . . . 0.0 109.723 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.8 m -63.59 -50.09 70.79 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.306 -0.871 . . . . 0.0 109.193 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.9 mt -58.04 -40.72 78.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.456 -0.777 . . . . 0.0 109.213 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -76.29 -31.98 58.53 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.325 -0.86 . . . . 0.0 110.444 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -83.3 -36.46 24.45 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.785 -1.197 . . . . 0.0 109.623 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -158.42 96.41 1.83 Allowed Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.385 -0.822 . . . . 0.0 109.329 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.64 -17.56 29.62 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 121.595 1.53 . . . . 0.0 113.605 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -94.12 3.41 55.34 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.729 -1.232 . . . . 0.0 110.359 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.5 m -106.65 14.35 27.03 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.157 -0.964 . . . . 0.0 110.133 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -112.84 136.19 21.64 Favored Pre-proline 0 N--CA 1.501 2.102 0 O-C-N 121.29 -0.881 . . . . 0.0 108.635 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -79.56 162.7 24.59 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 121.879 1.719 . . . . 0.0 113.259 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -82.23 170.8 13.16 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.795 2.33 . . . . 0.0 111.63 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.442 HG22 ' NH2' ' A' ' 101' ' ' ARG . 4.0 pt -109.16 163.63 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -89.28 132.71 34.78 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.187 -0.946 . . . . 0.0 108.48 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.89 139.0 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.393 -0.817 . . . . 0.0 109.188 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.7 mt -85.76 131.61 34.29 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.475 -0.765 . . . . 0.0 110.074 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -109.8 105.01 14.06 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 54.8 mt -122.27 147.78 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.354 -0.841 . . . . 0.0 109.97 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.498 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 37.9 mttp -109.17 157.0 19.19 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 121.562 0.696 . . . . 0.0 109.517 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.64 -172.36 36.31 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.75 -6.97 23.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.663 -0.904 . . . . 0.0 110.73 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -128.95 32.92 4.68 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.069 -1.019 . . . . 0.0 110.658 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.59 -14.19 4.5 Favored Glycine 0 N--CA 1.495 2.584 0 O-C-N 121.148 -0.97 . . . . 0.0 111.18 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.47 106.29 0.17 Allowed Glycine 0 N--CA 1.487 2.074 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.498 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 8.8 m-20 -76.11 134.84 39.89 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.465 -1.021 . . . . 0.0 109.137 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 99.0 m-85 -128.7 148.91 50.86 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -121.65 118.92 30.36 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.347 -0.846 . . . . 0.0 110.054 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -108.51 133.38 52.73 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 t -124.37 134.54 53.11 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.534 -0.729 . . . . 0.0 109.328 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -134.87 88.67 2.45 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 133.96 -164.02 24.47 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 108.883 -1.687 . . . . 0.0 108.883 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.571 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 46.7 13.58 0.09 OUTLIER Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.532 ' N ' ' O ' ' A' ' 97' ' ' GLY . 8.0 m -50.14 -49.13 52.99 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.015 -1.285 . . . . 0.0 109.541 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.646 ' ND1' ' O1G' ' A' ' 1' ' ' ATP . 36.4 m80 -57.29 -41.31 79.53 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.193 -0.942 . . . . 0.0 109.563 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.494 ' NH2' ' O1A' ' A' ' 1' ' ' ATP . 39.4 mtm180 -67.03 -30.07 70.05 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.986 -1.071 . . . . 0.0 109.381 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -67.29 -43.86 80.7 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.888 -1.133 . . . . 0.0 108.508 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.55 -48.21 81.63 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.308 -0.87 . . . . 0.0 109.572 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.19 -47.87 82.08 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.182 -0.949 . . . . 0.0 109.274 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -65.27 -35.58 81.46 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.269 -0.895 . . . . 0.0 108.841 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -70.69 -36.54 73.35 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.241 -0.912 . . . . 0.0 109.616 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -67.13 -31.67 72.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.339 -0.851 . . . . 0.0 109.55 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.4 mt -82.4 6.46 17.07 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.253 -0.905 . . . . 0.0 109.659 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 50.8 22.08 1.07 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.339 -0.851 . . . . 0.0 110.347 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -57.27 154.92 9.62 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.943 -1.098 . . . . 0.0 108.415 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -79.91 -41.92 25.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.312 -0.867 . . . . 0.0 110.389 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.664 HG22 ' HA ' ' A' ' 45' ' ' PRO . 33.5 p -133.02 176.96 8.04 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.972 -1.08 . . . . 0.0 110.839 -178.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.8 tt -137.58 141.94 35.18 Favored Pre-proline 0 N--CA 1.499 1.975 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -84.95 119.75 2.2 Favored 'Trans proline' 0 N--CA 1.482 0.838 0 CA-C-N 120.269 1.132 . . . . 0.0 110.92 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -135.37 138.57 43.47 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 121.599 0.714 . . . . 0.0 110.282 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -71.6 115.54 10.9 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.4 mt -80.83 138.18 36.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.962 -1.086 . . . . 0.0 109.244 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 97.7 t -134.29 110.78 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.604 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -48.83 138.62 10.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.186 -0.946 . . . . 0.0 109.442 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.1 m -141.34 -179.0 5.87 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.274 -0.891 . . . . 0.0 109.253 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.1 p -130.67 162.28 29.76 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.544 -0.722 . . . . 0.0 109.368 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 22.9 tp -56.23 -34.41 66.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.905 -1.122 . . . . 0.0 109.605 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.6 t -55.23 -45.46 75.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.874 -1.141 . . . . 0.0 109.212 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -54.95 -42.65 72.6 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.9 tp -63.72 -32.0 73.35 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.204 -0.935 . . . . 0.0 109.123 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -62.83 -34.06 76.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.862 -1.149 . . . . 0.0 109.042 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.29 -34.21 62.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 121.207 -0.933 . . . . 0.0 108.67 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -90.51 -47.5 7.67 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.281 -0.887 . . . . 0.0 110.821 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 131' ' ' ALA . 60.6 mt -119.55 46.19 1.97 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.462 -0.774 . . . . 0.0 110.283 -177.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.68 38.94 0.1 Allowed Glycine 0 N--CA 1.489 2.188 0 C-N-CA 120.006 -1.093 . . . . 0.0 110.395 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.65 -55.88 0.1 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.796 -1.414 . . . . 0.0 109.502 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.8 t -99.84 36.04 1.9 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.191 -0.943 . . . . 0.0 109.363 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.35 117.04 60.22 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.278 -0.889 . . . . 0.0 109.563 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -74.55 -177.81 3.6 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.606 1.538 . . . . 0.0 111.782 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -104.88 118.1 35.7 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 97.9 mt -82.72 139.79 33.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.505 -0.747 . . . . 0.0 110.306 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 . . . . . 0 N--CA 1.496 1.874 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.319 179.869 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ATP . . . . . 0.752 ' N1 ' ' OG ' ' A' ' 64' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.6 152.87 23.51 Favored Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.203 -1.175 . . . . 0.0 109.114 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.436 ' C ' ' H ' ' A' ' 21' ' ' GLY . 69.0 Cg_endo -72.73 104.79 1.8 Allowed 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.279 1.986 . . . . 0.0 111.976 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -75.04 37.17 0.12 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.234 -0.916 . . . . 0.0 109.447 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' A' ' 19' ' ' PRO . . . 161.45 70.49 0.02 OUTLIER Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -46.08 -54.74 4.31 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.8 2.333 . . . . 0.0 112.263 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 179.14 178.24 48.16 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.25 -53.69 0.09 OUTLIER 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.814 2.342 . . . . 0.0 111.984 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.1 t -169.09 -22.37 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.263 -0.898 . . . . 0.0 109.508 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.402 ' C ' ' H ' ' A' ' 28' ' ' ALA . . . 79.25 158.3 13.46 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.23 26.61 2.51 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.402 ' H ' ' C ' ' A' ' 26' ' ' GLY . . . -79.2 -42.63 25.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.279 -1.13 . . . . 0.0 109.484 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -79.31 66.62 4.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.275 -0.891 . . . . 0.0 109.482 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -160.34 170.26 36.33 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.3 81.44 0.73 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -163.96 154.31 15.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.266 -1.138 . . . . 0.0 109.48 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.7 tt -79.47 144.46 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.281 -0.887 . . . . 0.0 109.509 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -80.17 107.22 12.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.224 -0.922 . . . . 0.0 109.501 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.7 t -80.06 -170.79 2.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.278 -0.889 . . . . 0.0 109.475 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.65 -9.31 6.5 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.451 -1.459 . . . . 0.0 109.451 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.772 ' HE ' ' H ' ' A' ' 38' ' ' ILE . 8.7 tpm_? -64.42 150.89 45.54 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.307 -1.113 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.772 ' H ' ' HE ' ' A' ' 37' ' ' ARG . 21.0 mt -142.81 97.64 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.185 -0.947 . . . . 0.0 109.064 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -111.28 119.78 40.03 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -155.71 -174.66 5.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.242 -0.911 . . . . 0.0 109.897 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -76.78 142.13 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -145.42 163.19 35.39 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.207 -0.933 . . . . 0.0 109.789 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 43' ' ' ASN . 10.0 p30 -102.85 94.09 5.4 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.448 ' CG1' HD21 ' A' ' 49' ' ' LEU . 4.1 p -87.06 125.7 65.42 Favored Pre-proline 0 N--CA 1.497 1.878 0 O-C-N 121.258 -0.901 . . . . 0.0 109.538 -178.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.649 ' HA ' HG22 ' A' ' 112' ' ' THR . 80.7 Cg_exo -47.95 139.77 19.54 Favored 'Trans proline' 0 N--CA 1.499 1.803 0 C-N-CA 121.755 1.637 . . . . 0.0 113.453 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mt -67.5 -29.47 68.9 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.266 -0.896 . . . . 0.0 108.997 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -66.46 -19.07 65.7 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.593 -0.692 . . . . 0.0 112.17 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.8 m -110.77 24.06 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.269 0 O-C-N 120.698 -1.252 . . . . 0.0 110.877 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.448 HD21 ' CG1' ' A' ' 44' ' ' VAL . 65.5 mt -89.95 123.38 33.82 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.727 -1.233 . . . . 0.0 108.991 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.6 mt -94.1 116.29 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.323 -0.861 . . . . 0.0 109.783 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.5 mtp-105 -135.42 96.19 14.0 Favored Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 121.665 -0.647 . . . . 0.0 109.515 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -95.51 26.97 0.27 Allowed 'Trans proline' 0 C--N 1.314 -1.258 0 C-N-CA 122.883 2.389 . . . . 0.0 111.878 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 tt -141.76 94.75 7.22 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 121.351 -0.843 . . . . 0.0 109.378 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.81 166.61 28.92 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 121.554 1.503 . . . . 0.0 111.726 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m -147.46 168.06 22.86 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.108 -0.995 . . . . 0.0 110.011 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 56' ' ' VAL . 3.7 p -85.53 110.94 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 72.4 mt -92.09 146.86 23.39 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.01 -1.056 . . . . 0.0 110.582 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 3.1 t70 -103.13 137.27 19.21 Favored Pre-proline 0 C--N 1.299 -1.597 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -75.75 -15.93 18.87 Favored 'Trans proline' 0 N--CA 1.496 1.656 0 C-N-CA 121.973 1.782 . . . . 0.0 112.66 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.413 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.73 -38.63 18.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.06 -1.025 . . . . 0.0 109.808 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.416 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 7.4 ttmt -74.53 -31.91 62.29 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.154 -0.967 . . . . 0.0 109.512 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.25 -36.03 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.994 -1.066 . . . . 0.0 108.868 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -64.59 -40.93 96.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.285 -0.884 . . . . 0.0 109.17 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.56 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 10.3 t -61.55 -37.65 84.56 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.315 -0.866 . . . . 0.0 109.298 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mt -75.07 -47.92 26.43 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.283 -0.886 . . . . 0.0 108.669 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.2 t -55.77 -32.61 32.24 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -76.5 -34.67 58.61 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.531 -0.73 . . . . 0.0 109.647 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.4 m -67.41 -51.16 55.2 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.073 -1.017 . . . . 0.0 109.393 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.4 mt -57.91 -40.87 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.432 -0.793 . . . . 0.0 109.169 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.9 mtp85 -76.68 -33.46 58.25 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.279 -0.888 . . . . 0.0 110.156 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -87.06 -35.27 18.83 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.822 -1.174 . . . . 0.0 110.2 -179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -157.42 97.36 1.99 Allowed Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.167 -0.958 . . . . 0.0 109.663 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.54 -3.86 14.47 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 121.556 1.504 . . . . 0.0 112.911 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -91.21 -28.47 17.8 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.951 -1.093 . . . . 0.0 110.956 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.4 t -84.2 22.74 1.16 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.705 -1.247 . . . . 0.0 109.561 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 t -118.38 104.07 48.36 Favored Pre-proline 0 N--CA 1.5 2.031 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -75.07 162.37 37.06 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 121.626 1.551 . . . . 0.0 113.045 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.64 171.68 17.71 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.915 2.41 . . . . 0.0 112.151 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.1 pt -110.29 163.17 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.63 128.32 34.53 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.0 t -132.75 137.46 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.355 -0.84 . . . . 0.0 109.038 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.7 mt -86.23 133.05 33.86 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.571 -0.706 . . . . 0.0 110.11 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -110.27 107.36 17.09 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 84' ' ' ILE . 35.2 mt -125.37 146.04 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 121.363 -0.836 . . . . 0.0 109.8 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.518 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 38.3 mttp -108.61 157.11 18.8 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-O 121.583 0.706 . . . . 0.0 109.565 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.71 -170.57 31.45 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.96 -5.88 19.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.79 -0.829 . . . . 0.0 110.797 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -128.92 30.71 5.03 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.183 -0.948 . . . . 0.0 110.591 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.79 -13.68 4.01 Favored Glycine 0 N--CA 1.495 2.57 0 C-N-CA 120.15 -1.024 . . . . 0.0 110.947 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.52 109.78 0.58 Allowed Glycine 0 N--CA 1.486 2.006 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.518 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 11.6 m-20 -77.88 134.36 37.95 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.421 -1.046 . . . . 0.0 108.89 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 96.1 m-85 -129.32 131.09 46.86 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -105.81 119.94 40.44 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.298 -0.877 . . . . 0.0 110.143 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -107.5 142.52 37.24 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.44 136.34 47.89 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.531 -0.731 . . . . 0.0 109.402 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -137.97 91.28 2.56 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 132.64 -164.2 24.02 Favored Glycine 0 N--CA 1.497 2.723 0 N-CA-C 108.574 -1.81 . . . . 0.0 108.574 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.7 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 45.88 15.63 0.11 Allowed Glycine 0 N--CA 1.493 2.452 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 97' ' ' GLY . 6.5 m -49.81 -51.81 36.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.073 -1.251 . . . . 0.0 109.916 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -59.75 -36.32 76.4 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.105 -0.997 . . . . 0.0 109.576 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.644 ' NH2' ' O1A' ' A' ' 1' ' ' ATP . 42.5 mtm180 -68.27 -29.32 68.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.965 -1.084 . . . . 0.0 109.433 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -68.15 -42.94 79.32 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.995 -1.066 . . . . 0.0 108.81 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.12 -46.65 85.22 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.302 -0.874 . . . . 0.0 109.719 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.06 -46.56 82.38 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.219 -0.926 . . . . 0.0 109.497 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -68.19 -38.28 81.85 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.163 -0.961 . . . . 0.0 109.133 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -67.99 -33.31 74.38 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.178 -0.951 . . . . 0.0 109.551 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -72.56 -38.63 67.89 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.344 -0.848 . . . . 0.0 110.007 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.6 mt -76.58 8.68 3.32 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.166 -0.958 . . . . 0.0 109.863 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 45.15 60.31 3.07 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.293 -0.879 . . . . 0.0 110.197 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -93.18 161.62 14.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.093 -1.004 . . . . 0.0 108.612 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -82.41 -42.73 18.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.298 -0.876 . . . . 0.0 109.842 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.649 HG22 ' HA ' ' A' ' 45' ' ' PRO . 37.2 p -135.52 177.35 7.89 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.983 -1.073 . . . . 0.0 110.033 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.1 tt -138.43 141.0 29.92 Favored Pre-proline 0 N--CA 1.504 2.235 0 O-C-N 121.69 -0.631 . . . . 0.0 109.772 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -68.54 131.09 22.2 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 CA-C-N 120.022 1.044 . . . . 0.0 110.625 178.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -150.27 129.45 12.76 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.142 -0.973 . . . . 0.0 109.992 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -70.9 116.73 11.53 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.4 mt -83.76 137.45 33.73 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.954 -1.091 . . . . 0.0 109.428 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.6 t -137.55 111.88 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.598 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -48.78 138.98 10.4 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.166 -0.959 . . . . 0.0 109.46 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.6 m -141.88 -178.87 5.89 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.278 -0.889 . . . . 0.0 109.426 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.1 p -129.06 160.63 32.17 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.489 -0.757 . . . . 0.0 109.536 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.5 tp -55.54 -35.23 65.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.156 -0.965 . . . . 0.0 109.596 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.5 t -53.88 -45.31 71.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.915 -1.116 . . . . 0.0 109.03 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -55.23 -41.36 71.99 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.229 -0.919 . . . . 0.0 108.619 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.5 tp -64.95 -32.06 73.59 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.069 -1.019 . . . . 0.0 109.137 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -64.12 -34.84 78.97 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.869 -1.145 . . . . 0.0 109.135 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.25 -35.13 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 121.12 -0.988 . . . . 0.0 108.618 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -90.22 -47.47 7.77 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.225 -0.922 . . . . 0.0 110.67 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 131' ' ' ALA . 62.6 mt -118.21 46.15 1.85 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.456 -0.778 . . . . 0.0 110.12 -178.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.4 38.79 0.1 OUTLIER Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -155.39 -54.93 0.09 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.855 -1.379 . . . . 0.0 109.49 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.5 m -100.02 35.59 2.02 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.186 -0.946 . . . . 0.0 109.373 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.77 116.73 57.96 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.271 -0.893 . . . . 0.0 109.519 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -75.26 -178.03 3.94 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.65 1.567 . . . . 0.0 111.797 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -103.97 118.67 37.22 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.41 137.89 35.64 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.497 -0.752 . . . . 0.0 110.492 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 117.978 -1.011 . . . . 0.0 109.173 179.577 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ATP . . . . . 0.7 ' O3G' ' N ' ' A' ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 19' ' ' PRO . . . -166.91 153.19 7.88 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.193 -1.181 . . . . 0.0 109.115 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 18' ' ' ALA . 66.8 Cg_exo -36.79 159.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.263 0 C-N-CA 122.415 2.076 . . . . 0.0 112.431 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.475 ' CD ' ' N ' ' A' ' 20' ' ' GLU . 1.4 pm0 -160.94 148.23 15.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.213 -0.929 . . . . 0.0 109.464 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.79 175.19 5.03 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.26 170.0 21.29 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.749 2.299 . . . . 0.0 112.027 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 167.06 178.83 39.7 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.449 -1.461 . . . . 0.0 109.449 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.24 99.86 1.3 Allowed 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.801 2.334 . . . . 0.0 111.971 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.3 t -162.41 -165.95 1.28 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.225 -0.922 . . . . 0.0 109.519 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.419 ' H ' ' H ' ' A' ' 27' ' ' GLY . . . 168.16 -4.04 0.04 OUTLIER Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.419 ' H ' ' H ' ' A' ' 26' ' ' GLY . . . 161.54 -9.9 0.11 Allowed Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.48 ' C ' ' H ' ' A' ' 30' ' ' GLY . . . -72.02 -9.37 58.28 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.241 -1.153 . . . . 0.0 109.48 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -72.9 17.11 0.13 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.902 . . . . 0.0 109.484 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' A' ' 28' ' ' ALA . . . -160.91 -3.66 0.05 OUTLIER Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 160.79 -79.14 0.16 Allowed Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.7 p -172.52 154.2 3.07 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -1.136 . . . . 0.0 109.472 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 34' ' ' HIS . 18.3 tt -49.91 -38.9 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.288 -0.882 . . . . 0.0 109.472 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.469 ' N ' HG23 ' A' ' 33' ' ' ILE . 85.1 t60 -79.5 88.88 5.05 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.292 -0.88 . . . . 0.0 109.446 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 34' ' ' HIS . 23.1 t -49.87 177.14 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.213 -0.929 . . . . 0.0 109.477 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -176.38 144.97 7.24 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -70.38 127.0 31.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -1.125 . . . . 0.0 109.297 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.9 mt -143.8 98.14 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.113 -0.992 . . . . 0.0 109.11 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.37 90.42 5.07 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.483 -0.761 . . . . 0.0 109.324 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -138.43 -174.73 3.89 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.371 -0.831 . . . . 0.0 109.524 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 92.8 t -75.15 143.52 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.382 -0.824 . . . . 0.0 109.227 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -152.16 141.14 21.17 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.378 -0.826 . . . . 0.0 109.484 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -80.18 96.9 6.69 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.2 p -91.06 124.7 61.01 Favored Pre-proline 0 N--CA 1.498 1.934 0 O-C-N 121.151 -0.968 . . . . 0.0 108.855 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.652 ' HA ' HG22 ' A' ' 112' ' ' THR . 71.0 Cg_exo -47.99 142.15 15.96 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 121.688 1.592 . . . . 0.0 113.471 -179.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -67.37 -34.31 77.03 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.816 0.817 . . . . 0.0 109.251 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.3 p -60.49 -34.4 74.0 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.9 -0.5 . . . . 0.0 111.91 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.7 m -94.64 18.63 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.758 -1.214 . . . . 0.0 111.569 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.1 mt -85.32 135.2 34.0 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.519 -1.363 . . . . 0.0 108.452 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.8 mt -103.69 115.85 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.525 -0.735 . . . . 0.0 109.956 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -133.28 95.96 17.81 Favored Pre-proline 0 N--CA 1.495 1.818 0 O-C-N 121.633 -0.667 . . . . 0.0 109.639 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -97.45 29.54 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 122.979 2.452 . . . . 0.0 111.746 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tt -140.81 87.92 10.92 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 121.315 -0.866 . . . . 0.0 109.779 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -49.09 169.42 0.1 OUTLIER 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.455 2.103 . . . . 0.0 112.015 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.6 m -156.53 165.32 36.62 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.132 -0.98 . . . . 0.0 109.893 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.8 t -97.11 110.22 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.2 mt -93.91 146.77 23.67 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.278 -0.889 . . . . 0.0 110.642 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.8 t70 -110.5 139.64 21.75 Favored Pre-proline 0 N--CA 1.492 1.642 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 179.212 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.57 -21.83 16.49 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.059 1.84 . . . . 0.0 113.004 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.514 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -76.14 -41.65 49.26 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.022 -1.048 . . . . 0.0 110.152 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -73.83 -38.76 64.44 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.177 -0.952 . . . . 0.0 109.509 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 75.0 t -64.73 -35.5 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.006 -1.059 . . . . 0.0 109.265 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -66.65 -38.1 86.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.19 -0.944 . . . . 0.0 108.718 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.605 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 8.7 t -64.59 -37.52 87.83 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.264 -0.897 . . . . 0.0 109.306 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mt -76.27 -46.58 27.32 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.269 -0.894 . . . . 0.0 108.789 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.4 t -55.41 -32.33 29.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -75.99 -35.36 59.62 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.412 -0.805 . . . . 0.0 109.508 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 m -67.32 -51.33 53.85 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.157 -0.964 . . . . 0.0 109.291 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.0 mt -57.61 -41.4 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.371 -0.831 . . . . 0.0 109.141 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -76.73 -32.77 58.01 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.247 -0.908 . . . . 0.0 110.25 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -85.38 -36.34 20.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.81 -1.182 . . . . 0.0 109.944 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -154.27 94.5 2.82 Favored Pre-proline 0 N--CA 1.494 1.728 0 O-C-N 121.261 -0.899 . . . . 0.0 109.41 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.15 -21.02 36.92 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 121.374 1.382 . . . . 0.0 112.977 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -85.52 -23.5 27.69 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.9 -1.125 . . . . 0.0 110.534 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.3 t -80.84 17.77 1.12 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.865 -1.147 . . . . 0.0 109.608 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 t -118.75 113.42 36.2 Favored Pre-proline 0 N--CA 1.499 1.993 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -76.35 162.3 33.79 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 121.66 1.573 . . . . 0.0 113.004 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.09 172.81 15.46 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.792 2.328 . . . . 0.0 112.045 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.422 HG22 HH21 ' A' ' 101' ' ' ARG . 4.4 pt -112.53 165.98 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.703 -0.623 . . . . 0.0 109.522 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -87.87 134.27 33.74 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 121.351 -0.843 . . . . 0.0 108.77 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.0 t -137.56 137.82 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.343 -0.848 . . . . 0.0 109.134 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.3 mt -87.43 136.52 32.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.513 -0.742 . . . . 0.0 109.449 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -116.14 108.47 16.21 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 84' ' ' ILE . 39.5 mt -126.22 148.79 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.404 -0.81 . . . . 0.0 110.182 -178.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.527 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 35.2 mttp -108.78 157.53 18.49 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.678 0.751 . . . . 0.0 110.0 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.07 -164.43 29.92 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.25 -6.94 43.54 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.611 -0.935 . . . . 0.0 110.783 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.433 ' C ' ' H ' ' A' ' 90' ' ' GLY . 36.7 mt-30 -131.17 40.32 3.46 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.02 -1.05 . . . . 0.0 110.696 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.4 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 65.66 -11.41 0.41 Allowed Glycine 0 N--CA 1.494 2.566 0 O-C-N 121.167 -0.958 . . . . 0.0 111.678 178.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.533 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.16 108.46 0.36 Allowed Glycine 0 N--CA 1.487 2.1 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.527 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 4.9 m-20 -76.82 131.15 38.5 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.428 -1.042 . . . . 0.0 109.38 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.533 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 94.9 m-85 -126.72 124.59 40.12 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -98.58 119.59 37.56 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.239 -0.913 . . . . 0.0 110.143 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -107.98 131.35 54.65 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 t -122.75 131.59 53.85 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.644 -0.66 . . . . 0.0 109.356 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -131.6 88.14 2.54 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 141.65 -165.59 26.42 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 108.621 -1.792 . . . . 0.0 108.621 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.01 23.06 0.56 Allowed Glycine 0 N--CA 1.494 2.534 0 O-C-N 121.117 -1.226 . . . . 0.0 110.404 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.546 ' N ' ' O1G' ' A' ' 1' ' ' ATP . 5.2 m -53.31 -52.87 57.73 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.908 -1.348 . . . . 0.0 109.658 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.812 ' N ' ' O3G' ' A' ' 1' ' ' ATP . 37.9 m80 -63.51 -38.37 90.88 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.118 -0.989 . . . . 0.0 109.63 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.422 HH21 HG22 ' A' ' 79' ' ' ILE . 7.4 ttp180 -64.6 -30.61 71.64 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.959 -1.088 . . . . 0.0 109.359 179.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -67.6 -42.18 82.85 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.178 -0.951 . . . . 0.0 108.611 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.39 -44.29 92.8 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.327 -0.858 . . . . 0.0 109.668 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.44 -45.0 89.38 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.167 -0.958 . . . . 0.0 109.316 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -69.42 -40.79 77.08 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.303 -0.873 . . . . 0.0 109.037 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -65.92 -33.67 76.35 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.209 -0.932 . . . . 0.0 109.611 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -72.06 -39.32 69.12 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.257 -0.902 . . . . 0.0 109.81 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 98.2 mt -75.82 12.33 1.11 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.139 -0.976 . . . . 0.0 109.527 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 44.99 43.02 6.88 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.385 -0.822 . . . . 0.0 110.444 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 20.6 mmt85 -79.45 155.76 28.16 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.0 -1.063 . . . . 0.0 108.574 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -79.39 -41.65 27.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.378 -0.826 . . . . 0.0 110.59 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.652 HG22 ' HA ' ' A' ' 45' ' ' PRO . 37.2 p -133.93 177.24 7.88 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.019 -1.051 . . . . 0.0 110.647 -178.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.71 141.45 27.98 Favored Pre-proline 0 N--CA 1.503 2.211 0 O-C-N 121.637 -0.665 . . . . 0.0 109.832 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -68.76 131.29 22.34 Favored 'Trans proline' 0 N--CA 1.491 1.34 0 C-N-CA 120.909 1.073 . . . . 0.0 110.8 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.83 137.42 15.99 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.265 -0.897 . . . . 0.0 109.288 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.78 122.37 27.6 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 59.1 mt -78.63 138.94 38.57 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.378 -0.826 . . . . 0.0 109.149 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.0 t -133.32 101.89 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.553 HE21 ' N ' ' A' ' 120' ' ' SER . 1.4 tm0? -55.42 127.46 29.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.29 -0.881 . . . . 0.0 109.014 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.553 ' N ' HE21 ' A' ' 119' ' ' GLN . 4.9 m -134.44 -178.23 4.96 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.449 -0.782 . . . . 0.0 109.58 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.1 p -121.79 163.06 19.77 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.603 -0.686 . . . . 0.0 109.521 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.2 tp -57.28 -37.37 72.3 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.051 -1.031 . . . . 0.0 109.81 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.4 t -54.2 -40.16 67.34 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.845 -1.159 . . . . 0.0 109.592 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -62.02 -43.39 98.94 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.933 -1.104 . . . . 0.0 108.621 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.4 tp -60.19 -39.12 85.4 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.005 -1.059 . . . . 0.0 109.033 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 130' ' ' GLY . 17.3 ttp180 -56.83 -37.12 70.79 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.19 -0.944 . . . . 0.0 108.808 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 99.9 t -56.46 -34.15 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.064 -1.022 . . . . 0.0 108.319 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -90.27 -48.78 6.93 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.313 -0.867 . . . . 0.0 110.786 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 131' ' ' ALA . 72.3 mt -116.56 45.29 1.84 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.506 -0.746 . . . . 0.0 110.323 -178.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -64.94 39.1 0.1 Allowed Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.853 -1.165 . . . . 0.0 110.39 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.82 -56.24 0.11 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.856 -1.379 . . . . 0.0 109.552 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.5 p -99.65 36.21 1.83 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.155 -0.966 . . . . 0.0 109.372 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -75.86 119.59 77.87 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.269 -0.894 . . . . 0.0 109.676 -179.376 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -79.41 -174.87 2.46 Favored 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 121.862 1.708 . . . . 0.0 111.516 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -105.71 117.5 34.17 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 97.6 mt -81.85 139.05 34.95 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.427 -0.796 . . . . 0.0 110.292 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 N--CA 1.496 1.874 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.256 179.809 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ATP . . . . . 0.812 ' O3G' ' N ' ' A' ' 100' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.624 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -78.28 -32.9 0.9 Allowed Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.277 -1.131 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 18' ' ' ALA . 69.6 Cg_endo -90.44 107.56 0.34 Allowed 'Trans proline' 0 C--N 1.318 -1.051 0 C-N-CA 122.179 1.919 . . . . 0.0 112.21 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.489 ' OE1' ' N ' ' A' ' 20' ' ' GLU . 33.0 mp0 -60.74 -18.67 56.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.253 -0.904 . . . . 0.0 109.44 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.96 173.58 1.61 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.25 165.53 30.75 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.821 2.347 . . . . 0.0 112.008 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.62 69.3 1.35 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -46.04 -60.67 0.78 Allowed 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.814 2.343 . . . . 0.0 112.306 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.5 t -68.77 81.8 0.29 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.254 -0.904 . . . . 0.0 109.48 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 163.99 60.23 0.02 OUTLIER Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -77.22 101.89 1.65 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.39 -23.07 57.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.243 -1.151 . . . . 0.0 109.432 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -64.69 -157.13 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.275 -0.891 . . . . 0.0 109.471 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.26 95.73 0.17 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.07 -137.03 1.29 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.2 p -174.89 179.98 1.53 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.292 -1.123 . . . . 0.0 109.482 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.2 pt -151.87 -34.45 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.241 -0.912 . . . . 0.0 109.345 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -75.48 -171.29 1.45 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.282 -0.886 . . . . 0.0 109.45 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.3 t -49.89 105.95 0.1 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 109.456 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.13 46.32 0.41 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -63.93 151.71 41.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.188 -1.183 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.7 mt -143.34 98.3 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.298 -0.876 . . . . 0.0 109.12 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.04 101.48 13.24 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.471 -0.768 . . . . 0.0 109.329 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -148.79 -174.75 4.7 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.237 -0.914 . . . . 0.0 109.779 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.1 t -75.24 144.23 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.476 -0.765 . . . . 0.0 109.185 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -152.25 150.69 30.07 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.348 -0.845 . . . . 0.0 109.691 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -87.68 94.96 9.89 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.3 p -88.0 124.12 67.53 Favored Pre-proline 0 N--CA 1.497 1.907 0 O-C-N 121.097 -1.002 . . . . 0.0 108.924 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.637 ' HA ' HG22 ' A' ' 112' ' ' THR . 85.3 Cg_exo -47.02 142.87 10.56 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 121.846 1.697 . . . . 0.0 113.673 -179.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mt -69.11 -31.26 69.84 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.408 -0.808 . . . . 0.0 109.164 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.5 t -69.14 -14.28 62.9 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.611 -0.681 . . . . 0.0 112.59 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.8 m -112.29 25.11 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.292 0 O-C-N 120.631 -1.293 . . . . 0.0 110.629 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.8 mt -89.13 139.14 30.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.899 -1.126 . . . . 0.0 108.541 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.0 mt -109.23 114.83 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.573 -0.704 . . . . 0.0 109.92 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -133.03 95.65 18.58 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.667 -0.646 . . . . 0.0 109.537 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -96.34 26.77 0.24 Allowed 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 122.863 2.376 . . . . 0.0 112.155 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tt -134.94 102.93 10.92 Favored Pre-proline 0 N--CA 1.502 2.129 0 O-C-N 121.366 -0.834 . . . . 0.0 109.917 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -47.42 169.4 0.06 OUTLIER 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 121.863 1.709 . . . . 0.0 112.055 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.7 m -158.5 162.64 37.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.087 -1.008 . . . . 0.0 109.989 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 56' ' ' VAL . 2.6 p -106.11 121.12 58.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.6 mt -105.55 146.71 29.26 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 122.038 0.923 . . . . 0.0 110.827 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.8 t70 -107.24 138.2 19.81 Favored Pre-proline 0 N--CA 1.49 1.533 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 178.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -76.46 -15.53 17.58 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 122.075 1.85 . . . . 0.0 113.105 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.404 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.5 -41.0 15.73 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.054 -1.029 . . . . 0.0 110.133 -179.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -74.99 -31.84 61.52 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.095 -1.003 . . . . 0.0 109.892 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 71.2 t -68.98 -35.91 71.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.009 -1.057 . . . . 0.0 109.427 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -66.76 -45.82 77.31 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.167 -0.958 . . . . 0.0 108.855 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.543 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 40.5 t -57.57 -38.19 74.39 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.187 -0.945 . . . . 0.0 109.321 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 mt -74.56 -50.47 17.9 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.31 -0.869 . . . . 0.0 109.118 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.6 t -55.03 -31.86 26.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -77.27 -37.22 53.37 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.56 -0.712 . . . . 0.0 109.541 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.7 m -63.73 -51.33 65.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.408 -0.808 . . . . 0.0 109.391 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.0 mt -57.48 -41.3 78.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 121.392 -0.818 . . . . 0.0 109.178 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.584 ' HE ' ' CD2' ' A' ' 108' ' ' LEU . 36.7 mtt-85 -77.15 -30.49 55.06 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.248 -0.908 . . . . 0.0 110.465 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -90.39 -34.26 15.72 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.749 -1.22 . . . . 0.0 110.157 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.425 ' OD2' ' OD1' ' A' ' 74' ' ' ASP . 21.4 t70 -158.98 97.8 1.67 Allowed Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.176 -0.953 . . . . 0.0 109.312 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.23 -0.7 10.63 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.647 1.565 . . . . 0.0 113.025 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 75' ' ' SER . 2.7 p30 -88.73 -42.0 12.22 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.959 -1.088 . . . . 0.0 110.096 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.518 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 5.8 m -71.84 24.38 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.036 -1.04 . . . . 0.0 109.919 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.484 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.1 t -124.79 103.3 31.2 Favored Pre-proline 0 N--CA 1.501 2.088 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.535 ' O ' ' NH2' ' A' ' 101' ' ' ARG . 49.3 Cg_endo -76.62 163.07 32.27 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 121.849 1.7 . . . . 0.0 113.035 -178.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.44 173.36 14.64 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 122.875 2.383 . . . . 0.0 112.117 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 pt -112.97 167.12 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -89.82 135.3 33.71 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.206 -0.934 . . . . 0.0 108.864 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.6 t -139.6 139.0 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.348 -0.845 . . . . 0.0 109.42 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.4 mt -85.88 142.46 28.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.349 -0.844 . . . . 0.0 109.467 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.442 ' NE1' ' OD1' ' A' ' 91' ' ' ASP . 12.0 t90 -122.13 109.63 14.77 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.422 HG21 HD13 ' A' ' 84' ' ' ILE . 25.9 mt -128.64 147.73 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 O-C-N 121.462 -0.774 . . . . 0.0 109.973 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.5 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 41.2 mttp -107.22 157.35 17.97 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.663 0.744 . . . . 0.0 109.959 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.44 -167.77 32.63 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.51 -6.95 39.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.695 -0.885 . . . . 0.0 110.852 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -129.36 33.91 4.45 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 120.974 -1.079 . . . . 0.0 110.792 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.07 -14.17 4.0 Favored Glycine 0 N--CA 1.495 2.612 0 O-C-N 121.129 -0.982 . . . . 0.0 111.278 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.524 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -49.42 108.05 0.39 Allowed Glycine 0 N--CA 1.485 1.944 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.5 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 6.1 m-20 -77.25 134.69 38.51 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.385 -1.068 . . . . 0.0 108.75 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.524 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 99.0 m-85 -128.03 126.49 41.38 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -100.93 119.94 39.43 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.25 -0.907 . . . . 0.0 110.137 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -108.31 130.15 55.2 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.81 -0.557 . . . . 0.0 109.546 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.1 t -121.21 128.44 52.44 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -126.6 87.51 2.67 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 135.29 -157.59 23.22 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 108.045 -2.022 . . . . 0.0 108.045 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.653 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 45.88 27.67 2.45 Favored Glycine 0 N--CA 1.493 2.447 0 O-C-N 121.141 -1.211 . . . . 0.0 110.168 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.681 ' H ' ' PG ' ' A' ' 1' ' ' ATP . 3.8 m -60.31 -54.79 41.47 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.039 -1.271 . . . . 0.0 110.352 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.445 ' H ' ' PG ' ' A' ' 1' ' ' ATP . 44.0 m80 -63.06 -55.02 29.1 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.059 -1.025 . . . . 0.0 109.95 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.558 ' CD ' ' O1A' ' A' ' 1' ' ' ATP . 49.0 mtp180 -53.49 -29.65 37.26 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.875 -1.141 . . . . 0.0 109.029 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -72.26 -44.58 62.62 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.224 -0.922 . . . . 0.0 108.951 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.79 -46.98 83.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.297 -0.877 . . . . 0.0 109.875 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.03 -44.37 82.84 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.274 -0.891 . . . . 0.0 110.005 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -65.39 -37.75 87.92 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.125 -0.984 . . . . 0.0 109.24 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -67.32 -31.53 71.89 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.08 -1.013 . . . . 0.0 109.822 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -72.42 -35.9 68.46 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.157 -0.965 . . . . 0.0 110.258 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.584 ' CD2' ' HE ' ' A' ' 70' ' ' ARG . 99.0 mt -76.76 14.58 0.79 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.12 -0.987 . . . . 0.0 109.783 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 44.81 30.63 0.56 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.386 -0.821 . . . . 0.0 110.421 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -64.18 159.53 20.42 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.053 -1.029 . . . . 0.0 108.752 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -82.75 -43.25 17.0 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.506 -0.746 . . . . 0.0 109.863 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.637 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.3 p -133.79 177.69 7.52 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.059 -1.026 . . . . 0.0 110.275 -179.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.3 tt -137.35 141.2 33.08 Favored Pre-proline 0 N--CA 1.502 2.161 0 O-C-N 121.754 -0.591 . . . . 0.0 109.866 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -69.62 130.67 19.91 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 CA-C-N 120.102 1.072 . . . . 0.0 110.588 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.84 134.9 13.93 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.228 -0.92 . . . . 0.0 109.462 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -77.53 117.81 19.34 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.295 -0.878 . . . . 0.0 109.002 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 57.2 mt -76.61 139.58 40.68 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.155 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.4 t -133.63 101.85 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.425 ' OE1' ' N ' ' A' ' 120' ' ' SER . 0.8 OUTLIER -55.5 130.65 43.63 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.248 -0.907 . . . . 0.0 109.013 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.425 ' N ' ' OE1' ' A' ' 119' ' ' GLN . 4.9 m -138.83 -179.21 5.69 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.328 -0.857 . . . . 0.0 109.779 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.4 p -119.75 160.83 21.82 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 121.593 0.711 . . . . 0.0 109.443 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.9 tp -54.94 -34.51 63.3 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.156 -0.965 . . . . 0.0 109.707 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.5 m -53.94 -45.96 71.4 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.901 -1.124 . . . . 0.0 109.143 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -55.18 -42.42 73.2 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.163 -0.961 . . . . 0.0 108.695 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.7 tp -63.19 -32.24 73.59 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.981 -1.074 . . . . 0.0 108.999 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.7 ttt-85 -63.68 -33.94 76.75 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.965 -1.084 . . . . 0.0 109.117 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 87.8 t -60.94 -34.48 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 121.158 -0.964 . . . . 0.0 108.6 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -90.28 -47.91 7.48 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.321 -0.862 . . . . 0.0 110.689 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 131' ' ' ALA . 66.3 mt -118.21 45.95 1.89 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.505 -0.747 . . . . 0.0 110.071 -178.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.44 38.52 0.1 OUTLIER Glycine 0 N--CA 1.49 2.272 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.76 -55.35 0.1 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.828 -1.395 . . . . 0.0 109.472 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 39.0 m -100.16 35.54 2.05 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.175 -0.953 . . . . 0.0 109.333 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.55 116.69 55.71 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.256 -0.903 . . . . 0.0 109.581 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -75.98 -178.69 4.55 Favored 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 121.607 1.538 . . . . 0.0 111.654 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -102.45 129.01 48.83 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 94.6 mt -91.84 137.47 32.34 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 121.482 0.658 . . . . 0.0 110.241 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 . . . . . 0 N--CA 1.498 1.93 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.295 179.789 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ATP . . . . . 0.681 ' PG ' ' H ' ' A' ' 99' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -167.13 153.2 7.62 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.233 -1.157 . . . . 0.0 109.128 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -36.88 107.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.314 -1.27 0 C-N-CA 122.471 2.114 . . . . 0.0 112.382 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.453 ' CD ' ' N ' ' A' ' 21' ' ' GLY . 1.4 pp20? -73.26 -161.07 0.09 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.227 -0.921 . . . . 0.0 109.521 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.453 ' N ' ' CD ' ' A' ' 20' ' ' GLU . . . 78.42 60.37 2.68 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.61 142.33 25.96 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.701 2.267 . . . . 0.0 111.986 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.96 -69.43 1.39 Allowed Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.27 -167.6 0.44 Allowed 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.807 2.338 . . . . 0.0 111.978 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.9 m -162.89 1.33 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.243 -0.91 . . . . 0.0 109.479 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 52.3 -156.77 4.04 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.82 -37.12 0.03 OUTLIER Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.43 -54.65 7.15 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.261 -1.14 . . . . 0.0 109.474 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -78.78 105.37 10.04 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.259 -0.901 . . . . 0.0 109.498 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.62 -142.69 3.78 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.74 12.73 0.04 OUTLIER Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -167.91 143.36 3.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.234 -1.156 . . . . 0.0 109.482 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.469 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.2 pp -149.18 -179.63 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.321 -0.862 . . . . 0.0 109.136 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -58.33 127.46 32.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.225 -0.922 . . . . 0.0 109.501 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.0 m -71.17 -71.28 0.27 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.233 -0.917 . . . . 0.0 109.524 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.03 108.0 0.34 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.3 mtt85 -153.77 164.4 38.4 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -1.152 . . . . 0.0 109.354 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.5 mt -143.19 97.23 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.209 -0.932 . . . . 0.0 109.0 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.49 110.36 22.34 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.56 -0.712 . . . . 0.0 109.361 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.02 -175.1 4.83 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.194 -0.941 . . . . 0.0 109.761 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.6 t -76.02 144.66 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.543 -0.723 . . . . 0.0 109.08 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -151.82 140.91 21.24 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.304 -0.872 . . . . 0.0 109.702 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -81.32 95.79 7.1 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.1 p -88.87 123.38 67.75 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 121.109 -0.994 . . . . 0.0 109.16 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.643 ' HA ' HG22 ' A' ' 112' ' ' THR . 72.5 Cg_exo -48.02 140.45 18.89 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 121.781 1.654 . . . . 0.0 113.373 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.66 -30.79 71.13 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.392 -0.817 . . . . 0.0 109.281 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p -62.89 -27.12 69.14 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.777 -0.577 . . . . 0.0 112.11 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.0 m -104.26 24.54 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 O-C-N 120.863 -1.148 . . . . 0.0 111.342 -178.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.582 HD13 HH12 ' A' ' 51' ' ' ARG . 61.6 mt -90.63 138.65 31.4 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.708 -1.245 . . . . 0.0 108.583 178.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 63.6 mt -107.41 123.74 62.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.609 -0.682 . . . . 0.0 109.878 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.582 HH12 HD13 ' A' ' 49' ' ' LEU . 64.1 mtt85 -132.26 96.03 20.21 Favored Pre-proline 0 N--CA 1.496 1.855 0 O-C-N 121.516 -0.74 . . . . 0.0 109.666 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.686 ' O ' HD12 ' A' ' 53' ' ' LEU . 12.3 Cg_endo -95.19 22.63 0.43 Allowed 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 123.132 2.555 . . . . 0.0 112.417 178.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.686 HD12 ' O ' ' A' ' 52' ' ' PRO . 1.3 mp -140.19 132.57 14.68 Favored Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.189 -0.944 . . . . 0.0 108.829 -178.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -75.51 167.66 26.09 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.199 1.933 . . . . 0.0 112.275 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.9 m -151.81 162.48 40.97 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.253 -0.905 . . . . 0.0 109.687 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 56' ' ' VAL . 2.5 p -107.4 121.48 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.2 mt -105.2 146.6 29.04 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-O 122.049 0.928 . . . . 0.0 110.978 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 3.7 t70 -113.14 139.82 23.51 Favored Pre-proline 0 N--CA 1.49 1.574 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.13 -22.42 16.89 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 121.965 1.777 . . . . 0.0 113.003 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.46 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -78.32 -40.69 35.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.052 -1.03 . . . . 0.0 110.422 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -75.41 -32.28 60.68 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.051 -1.03 . . . . 0.0 110.028 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.8 t -69.92 -35.72 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 120.888 -1.133 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -66.98 -40.85 87.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.178 -0.951 . . . . 0.0 108.785 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . 1.047 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 10.8 t -62.51 -37.69 87.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.246 -0.909 . . . . 0.0 109.316 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.637 HD23 ' C8 ' ' A' ' 1' ' ' ATP . 9.3 mt -76.23 -47.26 24.6 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.311 -0.868 . . . . 0.0 109.049 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.9 t -55.25 -30.46 24.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -76.81 -39.11 52.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.593 -0.692 . . . . 0.0 109.502 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.5 m -62.09 -47.55 84.12 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.388 -0.82 . . . . 0.0 109.618 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.3 mt -64.7 -36.34 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.586 -0.697 . . . . 0.0 110.058 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 mtp-105 -78.86 -41.56 29.63 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.063 -1.023 . . . . 0.0 111.107 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -90.32 -34.13 15.83 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.812 -1.18 . . . . 0.0 111.501 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.426 ' OD2' ' OD1' ' A' ' 74' ' ' ASP . 16.4 t70 -154.71 93.64 2.79 Favored Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 120.956 -1.09 . . . . 0.0 109.433 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -83.91 8.14 4.79 Favored 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 122.089 1.86 . . . . 0.0 113.297 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 75' ' ' SER . 1.9 p30 -87.5 -46.23 9.78 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.995 -1.065 . . . . 0.0 109.822 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.51 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 6.2 m -72.04 28.17 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.217 -0.927 . . . . 0.0 109.795 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.486 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.2 t -120.49 103.2 44.4 Favored Pre-proline 0 N--CA 1.5 2.068 0 O-C-N 121.255 -0.903 . . . . 0.0 108.657 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.529 ' O ' ' NH2' ' A' ' 101' ' ' ARG . 55.5 Cg_endo -77.3 163.03 30.61 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 121.956 1.771 . . . . 0.0 113.015 -178.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.472 ' C ' ' NH2' ' A' ' 101' ' ' ARG . 71.8 Cg_endo -76.84 171.14 18.53 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.884 2.39 . . . . 0.0 112.202 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.1 pt -108.83 167.09 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.616 -0.677 . . . . 0.0 109.431 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -90.25 131.64 35.96 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 121.292 -0.88 . . . . 0.0 109.235 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.3 t -135.83 141.85 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.436 -0.79 . . . . 0.0 108.989 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mp -89.4 141.71 28.31 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.338 -0.851 . . . . 0.0 109.043 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -121.13 113.44 20.02 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.9 mt -133.69 148.97 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.349 -0.845 . . . . 0.0 110.037 -178.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.521 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 27.7 mttp -108.12 157.6 18.14 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.808 0.813 . . . . 0.0 110.618 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.91 -173.75 36.25 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.71 -1.356 . . . . 0.0 109.71 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.18 -4.56 10.64 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.661 -0.906 . . . . 0.0 110.901 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -129.08 26.92 5.44 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.181 -0.949 . . . . 0.0 110.738 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.427 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 79.35 -14.85 14.27 Favored Glycine 0 N--CA 1.494 2.567 0 C-N-CA 119.986 -1.102 . . . . 0.0 110.925 178.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.61 109.53 0.55 Allowed Glycine 0 N--CA 1.487 2.036 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.521 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 5.9 m-20 -77.14 134.83 38.58 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.485 -1.009 . . . . 0.0 109.075 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.4 m-85 -129.8 124.35 33.14 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -101.09 122.79 44.21 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.19 -0.944 . . . . 0.0 110.059 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -113.5 132.44 55.68 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.85 136.39 54.05 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -134.49 90.84 2.71 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 130.47 -158.38 22.45 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 108.379 -1.889 . . . . 0.0 108.379 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 1.065 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 45.49 24.74 1.14 Allowed Glycine 0 N--CA 1.493 2.487 0 O-C-N 121.123 -1.222 . . . . 0.0 110.408 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.816 ' N ' ' PG ' ' A' ' 1' ' ' ATP . 4.0 m -56.21 -50.31 71.6 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.894 -1.356 . . . . 0.0 110.033 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.564 ' N ' ' O1G' ' A' ' 1' ' ' ATP . 49.5 m80 -63.51 -53.9 44.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.061 -1.024 . . . . 0.0 109.918 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.529 ' NH2' ' O ' ' A' ' 77' ' ' PRO . 42.9 mtp180 -53.49 -31.54 46.39 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.929 -1.107 . . . . 0.0 109.182 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 102' ' ' TYR . 6.3 t80 -69.57 -39.79 77.15 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.167 -0.958 . . . . 0.0 108.687 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.74 87.68 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.34 -0.85 . . . . 0.0 110.002 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.49 -44.89 85.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.115 -0.991 . . . . 0.0 109.617 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -70.14 -41.81 73.4 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.164 -0.96 . . . . 0.0 109.177 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.74 -31.1 71.53 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.236 -0.915 . . . . 0.0 109.33 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.453 ' C ' ' H ' ' A' ' 109' ' ' GLN . 18.3 tm0? -71.95 -45.68 60.22 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.422 -0.799 . . . . 0.0 109.521 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.58 12.78 0.22 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.316 -0.865 . . . . 0.0 109.92 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.453 ' H ' ' C ' ' A' ' 107' ' ' GLN . 25.9 mt-30 45.38 32.66 1.09 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.289 -0.882 . . . . 0.0 110.368 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 64.2 mmt-85 -63.54 159.53 18.5 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.98 -1.075 . . . . 0.0 108.699 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' A' ' 111' ' ' GLU . 19.2 mp0 -81.55 -41.59 21.4 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.502 -0.749 . . . . 0.0 110.305 -179.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.643 HG22 ' HA ' ' A' ' 45' ' ' PRO . 34.9 p -134.4 177.18 7.96 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.029 -1.044 . . . . 0.0 110.265 -179.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.1 tt -139.05 141.01 28.53 Favored Pre-proline 0 N--CA 1.502 2.157 0 O-C-N 121.625 -0.672 . . . . 0.0 109.817 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.12 131.41 23.59 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 CA-C-N 120.006 1.038 . . . . 0.0 110.51 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.5 134.8 15.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.107 -0.996 . . . . 0.0 109.867 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -78.29 116.77 18.96 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.481 -0.762 . . . . 0.0 109.065 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 53.5 mt -79.14 137.65 37.56 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.061 -1.025 . . . . 0.0 109.5 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 58.5 t -130.43 104.76 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.45 126.28 26.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.317 -0.864 . . . . 0.0 108.75 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.6 m -135.19 -179.26 5.52 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.349 -0.845 . . . . 0.0 109.658 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.9 p -118.04 160.92 20.68 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.4 tp -54.73 -36.77 65.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.976 -1.077 . . . . 0.0 109.769 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 11.6 t -54.72 -46.25 74.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.877 -1.139 . . . . 0.0 109.325 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -55.23 -41.82 72.57 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.159 -0.963 . . . . 0.0 108.695 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 125' ' ' LEU . 6.7 tp -63.54 -31.77 73.03 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.068 -1.02 . . . . 0.0 109.229 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 130' ' ' GLY . 25.9 ttt85 -61.31 -37.9 84.89 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.678 -1.264 . . . . 0.0 108.832 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.3 t -57.85 -35.84 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -89.96 -48.67 7.06 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.295 -0.878 . . . . 0.0 110.749 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 131' ' ' ALA . 96.3 mt -115.15 44.07 1.89 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.471 -0.768 . . . . 0.0 110.019 -178.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -64.94 38.32 0.1 Allowed Glycine 0 N--CA 1.49 2.234 0 N-CA-C 110.391 -1.084 . . . . 0.0 110.391 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.53 -57.2 0.11 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.787 -1.419 . . . . 0.0 109.562 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 70.8 m -98.72 37.16 1.54 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.102 -0.999 . . . . 0.0 109.276 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.74 116.77 58.33 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.327 -0.858 . . . . 0.0 109.628 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -78.6 -178.83 4.92 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 121.805 1.67 . . . . 0.0 111.95 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -101.16 114.58 28.67 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 94.1 mt -81.94 136.85 35.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.402 -0.811 . . . . 0.0 110.525 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 117.899 -1.048 . . . . 0.0 109.084 179.239 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ATP . . . . . 1.065 ' O3G' ' N ' ' A' ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.456 -1.458 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -169.97 60.4 0.37 Allowed Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.3 -1.117 . . . . 0.0 109.515 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.53 -163.07 0.17 Allowed 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.724 2.283 . . . . 0.0 112.033 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -160.88 3.04 0.07 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.293 -0.879 . . . . 0.0 109.454 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.22 60.35 2.71 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.58 -7.17 18.43 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.717 2.278 . . . . 0.0 112.036 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.38 69.6 1.22 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -46.13 105.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.789 2.326 . . . . 0.0 112.262 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.9 p -79.25 -173.62 3.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.219 -0.925 . . . . 0.0 109.453 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.23 122.99 0.36 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.29 72.19 2.54 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.28 -3.94 48.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.213 -1.169 . . . . 0.0 109.48 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -160.33 63.86 0.33 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.193 -0.942 . . . . 0.0 109.482 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -160.51 123.91 1.27 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.481 -1.447 . . . . 0.0 109.481 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.59 -75.27 0.04 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.9 t -167.18 125.94 1.35 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.297 -1.119 . . . . 0.0 109.508 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.4 mp -138.9 -18.08 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.403 -0.81 . . . . 0.0 109.183 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -50.69 172.98 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.219 -0.925 . . . . 0.0 109.455 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.4 m -79.58 58.27 2.67 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.254 -0.903 . . . . 0.0 109.52 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.14 122.26 0.01 OUTLIER Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.667 ' H ' ' NE ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -74.57 113.45 11.84 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.233 -1.157 . . . . 0.0 109.254 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.8 mt -142.99 97.97 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.104 -0.998 . . . . 0.0 109.064 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.17 109.66 21.43 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.451 -0.781 . . . . 0.0 109.34 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.81 -175.01 5.13 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.263 -0.898 . . . . 0.0 109.769 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.4 t -75.67 144.21 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.487 -0.758 . . . . 0.0 109.088 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -151.07 142.34 23.28 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.365 -0.835 . . . . 0.0 109.644 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -82.34 95.04 7.49 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.2 p -88.61 124.5 65.67 Favored Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 121.169 -0.957 . . . . 0.0 109.111 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.637 ' HA ' HG22 ' A' ' 112' ' ' THR . 71.5 Cg_exo -47.9 140.66 17.94 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 121.78 1.653 . . . . 0.0 113.464 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.66 -32.76 74.29 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.831 0.824 . . . . 0.0 109.417 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.2 p -62.25 -27.85 69.29 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.827 -0.546 . . . . 0.0 112.275 -177.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.0 m -101.62 25.28 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 120.833 -1.167 . . . . 0.0 111.462 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 49' ' ' LEU . 71.1 mt -89.62 131.28 35.7 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.67 -1.268 . . . . 0.0 108.525 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.1 mt -98.3 116.93 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.368 -0.832 . . . . 0.0 109.816 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -133.57 95.19 18.08 Favored Pre-proline 0 N--CA 1.499 1.98 0 O-C-N 121.527 -0.733 . . . . 0.0 109.801 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.667 ' O ' HD12 ' A' ' 53' ' ' LEU . 16.5 Cg_endo -98.28 32.67 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 123.195 2.597 . . . . 0.0 111.924 178.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 52' ' ' PRO . 1.2 mp -140.99 137.79 17.35 Favored Pre-proline 0 N--CA 1.5 2.027 0 O-C-N 121.044 -1.035 . . . . 0.0 108.969 -179.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -75.04 167.38 27.14 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.221 1.947 . . . . 0.0 111.853 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.8 m -155.58 160.12 40.22 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.109 -0.994 . . . . 0.0 109.893 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.459 ' O ' ' CG1' ' A' ' 56' ' ' VAL . 2.6 p -108.4 118.0 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.062 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.3 mt -98.12 145.71 26.3 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 122.277 1.037 . . . . 0.0 111.035 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -103.28 134.07 19.97 Favored Pre-proline 0 C--N 1.299 -1.611 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 178.819 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -75.4 -17.74 18.46 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 121.949 1.766 . . . . 0.0 113.199 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.541 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -87.07 -42.85 12.74 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.922 -1.111 . . . . 0.0 110.185 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -70.24 -31.38 68.76 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.217 -0.927 . . . . 0.0 109.786 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.65 -53.43 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.949 -1.094 . . . . 0.0 109.093 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.54 -39.17 72.96 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.201 -0.937 . . . . 0.0 108.786 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.5 t -61.41 -39.22 89.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.333 -0.854 . . . . 0.0 109.225 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 mt -73.36 -47.12 44.83 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.235 -0.916 . . . . 0.0 108.696 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.9 t -54.37 -35.02 29.45 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -76.05 -33.78 59.59 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.469 -0.77 . . . . 0.0 109.365 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.8 m -67.27 -51.37 53.67 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.213 -0.929 . . . . 0.0 109.258 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.547 ' CG2' HH12 ' A' ' 110' ' ' ARG . 15.5 mt -58.4 -40.9 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.402 -0.812 . . . . 0.0 109.227 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -76.68 -33.09 58.28 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.215 -0.928 . . . . 0.0 110.199 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -86.27 -36.23 19.48 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.915 -1.116 . . . . 0.0 110.027 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -158.53 100.53 1.69 Allowed Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.253 -0.904 . . . . 0.0 109.556 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.49 -9.0 22.48 Favored 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 121.505 1.47 . . . . 0.0 113.245 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.405 ' C ' ' H ' ' A' ' 76' ' ' VAL . 15.4 m-20 -86.23 -29.29 23.26 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.826 -1.171 . . . . 0.0 110.43 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 p -77.97 20.86 0.34 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.847 -1.158 . . . . 0.0 109.514 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.405 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.1 t -129.27 102.7 18.49 Favored Pre-proline 0 N--CA 1.498 1.959 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -76.91 162.36 32.29 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.833 1.688 . . . . 0.0 113.101 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.79 170.16 20.7 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.854 2.369 . . . . 0.0 112.039 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.654 ' CG2' ' HE ' ' A' ' 101' ' ' ARG . 7.7 pt -108.03 167.45 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.639 -0.663 . . . . 0.0 109.784 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -89.1 134.1 34.13 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 37.3 t -138.06 139.45 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.339 -0.851 . . . . 0.0 109.265 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.3 mt -86.92 133.15 33.63 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.401 -0.812 . . . . 0.0 109.849 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.44 ' NE1' ' OD1' ' A' ' 91' ' ' ASP . 11.3 t90 -110.78 111.36 22.48 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 84' ' ' ILE . 25.6 mt -129.28 145.76 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 121.369 -0.832 . . . . 0.0 109.863 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.501 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 38.8 mttp -108.57 157.14 18.75 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.616 0.722 . . . . 0.0 109.674 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.55 -168.19 31.22 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.41 -7.13 34.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.683 -0.892 . . . . 0.0 110.778 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -129.81 33.4 4.43 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.01 -1.056 . . . . 0.0 110.77 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.04 -14.26 3.91 Favored Glycine 0 N--CA 1.495 2.587 0 C-N-CA 120.234 -0.984 . . . . 0.0 111.301 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -47.86 108.4 0.34 Allowed Glycine 0 N--CA 1.487 2.037 0 O-C-N 120.849 -1.383 . . . . 0.0 109.693 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.501 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 7.1 m-20 -77.57 135.02 38.13 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.39 -1.065 . . . . 0.0 108.815 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 98.4 m-85 -128.64 126.63 40.58 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -103.08 123.0 45.83 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.227 -0.921 . . . . 0.0 110.356 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -108.2 126.39 52.74 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.794 -0.566 . . . . 0.0 109.483 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.75 119.44 36.04 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.146 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -120.02 86.27 2.53 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 177.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 136.0 -151.83 20.85 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 108.389 -1.885 . . . . 0.0 108.389 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.503 ' N ' ' O1G' ' A' ' 1' ' ' ATP . . . 45.76 15.29 0.1 OUTLIER Glycine 0 N--CA 1.494 2.507 0 O-C-N 121.173 -1.193 . . . . 0.0 110.132 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' A' ' 97' ' ' GLY . 5.3 m -51.23 -48.88 61.98 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -1.187 . . . . 0.0 110.125 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -66.18 -54.33 26.58 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.122 -0.986 . . . . 0.0 109.994 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 1.162 ' NH2' ' O2B' ' A' ' 1' ' ' ATP . 80.2 mtm-85 -53.62 -30.76 44.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.961 -1.087 . . . . 0.0 109.578 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -65.79 -43.7 87.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.025 -1.047 . . . . 0.0 108.729 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.14 96.96 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.289 -0.882 . . . . 0.0 109.626 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.3 -48.07 81.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.173 -0.954 . . . . 0.0 109.683 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -66.9 -42.53 85.32 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.165 -0.96 . . . . 0.0 108.888 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.43 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -62.55 -44.56 96.03 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.297 -0.877 . . . . 0.0 109.052 179.782 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.479 ' C ' ' H ' ' A' ' 109' ' ' GLN . 18.2 tm0? -59.46 -46.12 89.68 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.497 -0.752 . . . . 0.0 109.692 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.28 9.11 0.36 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.187 -0.946 . . . . 0.0 109.589 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 107' ' ' GLN . 17.1 tp60 48.0 37.66 8.08 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.275 -0.891 . . . . 0.0 109.874 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.547 HH12 ' CG2' ' A' ' 69' ' ' ILE . 22.2 mmt85 -73.57 154.18 39.91 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.076 -1.015 . . . . 0.0 108.54 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -78.76 -41.55 30.37 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.321 -0.862 . . . . 0.0 110.351 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.637 HG22 ' HA ' ' A' ' 45' ' ' PRO . 36.4 p -132.1 177.49 7.52 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.093 -1.005 . . . . 0.0 110.675 -178.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.7 tt -139.0 141.52 30.39 Favored Pre-proline 0 N--CA 1.501 2.114 0 O-C-N 121.725 -0.609 . . . . 0.0 109.745 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -68.29 130.78 21.9 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 CA-C-N 120.042 1.051 . . . . 0.0 110.706 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -149.86 134.13 17.27 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.224 -0.923 . . . . 0.0 109.575 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -78.88 112.19 15.8 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.483 -0.761 . . . . 0.0 108.96 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 57.3 mt -74.3 138.98 43.91 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.033 -1.042 . . . . 0.0 108.745 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 57.2 t -135.07 103.85 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.458 -0.776 . . . . 0.0 109.303 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.608 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.5 mp0 -46.07 135.98 7.08 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.273 -0.892 . . . . 0.0 109.609 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -143.89 -179.07 6.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.248 -0.908 . . . . 0.0 109.444 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.7 p -128.18 160.62 31.48 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.603 -0.686 . . . . 0.0 109.276 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.3 tp -54.7 -33.7 61.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.162 -0.961 . . . . 0.0 109.703 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.7 t -55.9 -44.2 78.01 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.948 -1.095 . . . . 0.0 109.463 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -58.69 -41.47 86.33 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.038 -1.039 . . . . 0.0 108.899 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.46 -38.35 89.47 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.044 -1.035 . . . . 0.0 109.136 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 130' ' ' GLY . 18.8 ttp180 -58.73 -37.56 76.44 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.051 -1.031 . . . . 0.0 108.743 179.232 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 83.3 t -56.7 -34.71 43.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.086 -1.009 . . . . 0.0 108.509 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -90.54 -48.37 7.13 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.282 -0.886 . . . . 0.0 110.833 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 131' ' ' ALA . 80.0 mt -115.98 44.19 1.98 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.444 -0.785 . . . . 0.0 110.317 -178.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -65.1 39.36 0.11 Allowed Glycine 0 N--CA 1.49 2.255 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.36 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.74 -57.2 0.13 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.845 -1.386 . . . . 0.0 109.483 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.2 p -99.7 35.79 1.93 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.158 -0.964 . . . . 0.0 109.288 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.8 118.52 70.92 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.303 -0.873 . . . . 0.0 109.788 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -80.48 -175.12 2.54 Favored 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 121.928 1.752 . . . . 0.0 111.291 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -105.0 128.33 53.26 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.749 0.785 . . . . 0.0 108.929 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.9 mt -89.64 137.67 32.13 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 121.485 0.659 . . . . 0.0 110.247 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 N--CA 1.497 1.895 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.315 179.785 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ATP . . . . . 1.162 ' O2B' ' NH2' ' A' ' 101' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.684 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -171.19 -54.05 0.0 OUTLIER Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.225 -1.162 . . . . 0.0 109.799 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.684 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 97.0 Cg_exo -43.37 93.16 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 121.993 1.795 . . . . 0.0 112.261 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -169.26 109.02 0.45 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.227 -0.921 . . . . 0.0 109.517 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 176.97 -59.86 0.1 OUTLIER Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -45.89 -36.87 16.07 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.729 2.286 . . . . 0.0 112.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.64 177.23 43.62 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.27 85.09 1.6 Allowed 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.742 2.295 . . . . 0.0 112.002 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.9 p -58.04 146.35 33.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.236 -0.915 . . . . 0.0 109.464 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.11 -172.55 42.59 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 161.04 50.55 0.02 OUTLIER Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.476 -1.449 . . . . 0.0 109.476 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.07 -41.32 42.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.23 -1.159 . . . . 0.0 109.507 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -153.18 -89.69 0.05 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.26 -0.9 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.06 -93.19 0.22 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 49.94 -119.25 6.61 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.0 t -64.48 116.81 6.5 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.188 -1.184 . . . . 0.0 109.487 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.3 pt -74.09 -113.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 0.0 109.373 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -79.31 3.05 19.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.107 -0.996 . . . . 0.0 109.482 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.3 t -79.36 144.68 33.95 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.305 -0.872 . . . . 0.0 109.497 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 160.59 -122.45 1.12 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -68.8 142.64 54.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.236 -1.156 . . . . 0.0 109.457 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.7 mt -143.94 98.53 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.261 -0.9 . . . . 0.0 108.994 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.13 87.59 7.23 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.453 -0.779 . . . . 0.0 109.542 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -138.74 -175.06 4.0 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.359 -0.838 . . . . 0.0 109.355 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.6 t -75.47 143.29 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.388 -0.82 . . . . 0.0 109.292 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -151.88 142.24 22.49 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.353 -0.842 . . . . 0.0 109.628 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -81.15 96.26 7.15 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.2 p -90.64 125.64 58.77 Favored Pre-proline 0 N--CA 1.498 1.975 0 O-C-N 121.182 -0.948 . . . . 0.0 109.052 -179.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.639 ' HA ' HG22 ' A' ' 112' ' ' THR . 75.4 Cg_exo -47.92 141.01 17.5 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 121.869 1.713 . . . . 0.0 113.677 -179.273 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mt -66.81 -33.57 75.9 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.876 0.846 . . . . 0.0 109.369 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.1 p -60.95 -27.59 68.36 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.838 -0.539 . . . . 0.0 112.175 -177.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 m -102.59 25.85 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 120.847 -1.158 . . . . 0.0 111.545 -178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 49' ' ' LEU . 72.5 mt -91.38 127.61 36.88 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.674 -1.266 . . . . 0.0 108.672 178.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.0 mt -96.46 119.19 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.262 -0.899 . . . . 0.0 110.397 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -133.85 95.15 17.61 Favored Pre-proline 0 N--CA 1.494 1.729 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -97.96 27.97 0.17 Allowed 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 122.965 2.443 . . . . 0.0 111.679 178.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 53' ' ' LEU . 14.2 tp -142.48 87.8 9.13 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.266 -0.896 . . . . 0.0 109.649 -178.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -47.79 169.28 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.551 2.167 . . . . 0.0 112.339 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -156.85 165.52 35.97 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.919 . . . . 0.0 109.816 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 56' ' ' VAL . 2.8 p -96.98 117.84 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.3 mt -100.46 146.14 27.4 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 122.14 0.971 . . . . 0.0 110.865 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -101.2 132.85 21.4 Favored Pre-proline 0 C--N 1.299 -1.626 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 178.867 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -75.6 -17.07 18.55 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 121.975 1.783 . . . . 0.0 113.193 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.529 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -86.97 -43.1 12.62 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.983 -1.073 . . . . 0.0 110.012 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.415 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 6.3 tttm -70.08 -31.53 69.16 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.24 -0.912 . . . . 0.0 109.797 -179.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.73 -50.68 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.911 -1.118 . . . . 0.0 108.997 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -51.16 -46.75 62.16 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.238 -0.914 . . . . 0.0 109.211 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.5 t -53.53 -40.9 65.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.271 -0.893 . . . . 0.0 109.313 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.587 ' CD2' HH21 ' A' ' 101' ' ' ARG . 5.1 mt -69.23 -46.33 67.61 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.5 t -55.35 -30.37 25.22 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.93 -35.74 59.63 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.484 -0.76 . . . . 0.0 109.875 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.1 m -68.0 -46.69 70.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.07 -1.019 . . . . 0.0 109.298 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.4 mt -62.96 -39.5 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.405 -0.809 . . . . 0.0 109.318 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 -76.87 -34.93 57.77 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.251 -0.906 . . . . 0.0 110.255 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -87.07 -35.27 18.81 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.892 -1.13 . . . . 0.0 110.43 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -155.81 96.53 2.35 Favored Pre-proline 0 N--CA 1.493 1.707 0 O-C-N 121.092 -1.005 . . . . 0.0 109.743 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.71 -3.33 13.73 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 121.588 1.526 . . . . 0.0 112.88 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -91.19 -30.04 16.89 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.921 -1.112 . . . . 0.0 110.843 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.0 m -81.96 22.43 0.78 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.669 -1.27 . . . . 0.0 109.571 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.84 104.11 47.33 Favored Pre-proline 0 N--CA 1.498 1.973 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -75.67 162.23 35.68 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 121.744 1.629 . . . . 0.0 113.045 -178.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.3 172.29 16.62 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.903 2.402 . . . . 0.0 112.187 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 pt -112.12 165.54 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -87.24 134.15 33.58 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.262 -0.899 . . . . 0.0 108.857 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.6 t -137.68 138.14 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.354 -0.841 . . . . 0.0 109.395 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.9 mt -87.33 137.75 32.07 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.537 -0.727 . . . . 0.0 110.008 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -114.8 108.42 16.73 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.405 HG21 HD13 ' A' ' 84' ' ' ILE . 29.0 mt -126.24 146.03 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.366 -0.834 . . . . 0.0 109.957 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.74 ' HZ1' ' CG ' ' A' ' 91' ' ' ASP . 34.6 mttp -108.71 157.21 18.75 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 121.669 0.747 . . . . 0.0 109.788 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.23 -164.5 29.75 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.06 -7.14 44.34 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.635 -0.92 . . . . 0.0 110.9 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.431 ' C ' ' H ' ' A' ' 90' ' ' GLY . 36.9 mt-30 -130.47 40.19 3.54 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 121.025 -1.047 . . . . 0.0 110.666 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.89 -10.33 0.35 Allowed Glycine 0 N--CA 1.495 2.577 0 O-C-N 121.214 -0.929 . . . . 0.0 111.732 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.539 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.04 108.82 0.39 Allowed Glycine 0 N--CA 1.487 2.036 0 O-C-N 120.758 -1.437 . . . . 0.0 109.51 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.74 ' CG ' ' HZ1' ' A' ' 85' ' ' LYS . 3.8 m-20 -76.49 130.92 38.64 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.458 -1.025 . . . . 0.0 109.21 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.539 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 94.2 m-85 -127.98 124.92 38.43 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -100.18 117.24 34.01 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.203 -0.936 . . . . 0.0 110.084 -178.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -103.98 134.1 47.82 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.63 133.33 52.27 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.531 -0.73 . . . . 0.0 109.225 179.079 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -132.5 90.15 2.75 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 178.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 136.52 -159.86 24.59 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 107.838 -2.105 . . . . 0.0 107.838 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.34 25.2 1.16 Allowed Glycine 0 N--CA 1.495 2.582 0 O-C-N 121.107 -1.231 . . . . 0.0 110.321 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.5 m -61.76 -56.61 17.68 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.067 -1.255 . . . . 0.0 109.877 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.447 ' HB2' ' O2G' ' A' ' 1' ' ' ATP . 37.0 m80 -60.22 -37.6 80.8 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.128 -0.983 . . . . 0.0 109.766 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.587 HH21 ' CD2' ' A' ' 65' ' ' LEU . 11.7 ttm180 -67.66 -29.92 69.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.894 -1.129 . . . . 0.0 109.477 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -66.3 -43.01 87.47 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.015 -1.053 . . . . 0.0 108.861 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.19 -45.22 91.64 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.354 -0.842 . . . . 0.0 109.717 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.66 -40.73 84.31 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.145 -0.972 . . . . 0.0 109.286 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -72.08 -42.88 65.65 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.227 -0.921 . . . . 0.0 109.016 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -61.14 -51.25 69.86 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 121.176 -0.953 . . . . 0.0 109.467 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -54.64 -40.99 69.54 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.395 -0.815 . . . . 0.0 109.878 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.7 mt -72.96 7.0 2.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 109.586 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 47.09 35.3 3.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.299 -0.875 . . . . 0.0 110.0 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -69.39 156.8 38.23 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.081 -1.012 . . . . 0.0 108.618 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -82.04 -42.14 19.69 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.352 -0.842 . . . . 0.0 110.581 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.639 HG22 ' HA ' ' A' ' 45' ' ' PRO . 33.5 p -134.29 177.2 7.94 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.016 -1.053 . . . . 0.0 110.408 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.6 tt -140.25 141.22 25.53 Favored Pre-proline 0 N--CA 1.502 2.171 0 O-C-N 121.661 -0.649 . . . . 0.0 109.867 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -67.82 131.06 23.18 Favored 'Trans proline' 0 N--CA 1.492 1.407 0 C-N-CA 120.9 1.066 . . . . 0.0 110.646 177.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.12 133.79 13.79 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.162 -0.961 . . . . 0.0 109.526 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -77.78 120.4 22.62 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.371 -0.831 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 55.8 mt -78.54 134.64 37.24 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.165 -0.96 . . . . 0.0 108.958 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 28.1 t -126.16 105.66 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.553 ' NE2' ' N ' ' A' ' 120' ' ' SER . 0.0 OUTLIER -55.84 126.13 24.33 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 118.914 -1.115 . . . . 0.0 108.006 179.246 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.553 ' N ' ' NE2' ' A' ' 119' ' ' GLN . 5.6 m -133.47 -178.37 4.96 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.284 -0.885 . . . . 0.0 109.927 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.1 p -126.72 160.85 29.61 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.47 -0.769 . . . . 0.0 109.299 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.6 tp -54.34 -33.63 59.41 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.922 -1.111 . . . . 0.0 109.481 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.0 m -55.92 -43.21 77.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.946 -1.096 . . . . 0.0 109.206 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -57.71 -42.07 82.99 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.058 -1.026 . . . . 0.0 108.58 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.61 -32.77 74.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.126 -0.984 . . . . 0.0 109.473 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -32.22 73.7 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.776 -1.202 . . . . 0.0 108.767 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.63 -34.55 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 O-C-N 121.008 -1.058 . . . . 0.0 108.451 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -90.37 -47.77 7.53 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.278 -0.889 . . . . 0.0 110.679 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 131' ' ' ALA . 58.9 mt -118.09 46.65 1.74 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.574 -0.704 . . . . 0.0 110.223 -178.089 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.57 38.34 0.1 OUTLIER Glycine 0 N--CA 1.49 2.283 0 C-N-CA 119.939 -1.124 . . . . 0.0 110.345 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -155.65 -54.1 0.09 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.852 -1.381 . . . . 0.0 109.446 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.4 m -99.58 36.48 1.77 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.153 -0.967 . . . . 0.0 109.42 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.91 117.86 68.54 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.288 -0.882 . . . . 0.0 109.481 -179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -80.4 -175.06 2.5 Favored 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.974 1.783 . . . . 0.0 111.596 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -104.02 128.61 51.6 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.739 0.78 . . . . 0.0 108.979 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.9 mt -91.39 138.7 31.37 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-O 121.506 0.67 . . . . 0.0 110.401 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 N--CA 1.496 1.858 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.275 179.764 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ATP . . . . . 0.447 ' O2G' ' HB2' ' A' ' 100' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.29 152.85 88.13 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.259 -1.142 . . . . 0.0 109.103 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -72.72 -19.48 24.06 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.307 2.004 . . . . 0.0 111.951 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.401 ' OE2' ' N ' ' A' ' 21' ' ' GLY . 9.0 tp10 -164.75 122.69 1.68 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.257 -0.902 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.401 ' N ' ' OE2' ' A' ' 20' ' ' GLU . . . 163.91 -174.25 40.03 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -46.14 163.52 0.1 OUTLIER 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.798 2.332 . . . . 0.0 112.272 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -167.98 -68.27 0.03 OUTLIER Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.22 1.74 7.5 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.82 2.347 . . . . 0.0 112.034 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.469 ' OG ' ' N ' ' A' ' 26' ' ' GLY . 17.0 t -167.89 -173.63 2.16 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.261 -0.9 . . . . 0.0 109.446 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.469 ' N ' ' OG ' ' A' ' 25' ' ' SER . . . 163.52 38.67 0.02 OUTLIER Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.521 -1.431 . . . . 0.0 109.521 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.59 148.82 9.64 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.63 -5.03 22.0 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.261 -1.141 . . . . 0.0 109.452 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -153.21 147.65 25.97 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.251 -0.906 . . . . 0.0 109.349 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.24 -46.79 0.17 Allowed Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.86 38.84 1.97 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.2 t -71.53 152.78 42.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.262 -1.14 . . . . 0.0 109.454 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.514 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 13.2 pt -153.28 -179.43 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.277 -0.89 . . . . 0.0 109.354 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' A' ' 33' ' ' ILE . 70.8 m80 -159.62 -32.25 0.06 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.263 -0.898 . . . . 0.0 109.443 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.0 t -164.76 177.06 8.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.236 -0.915 . . . . 0.0 109.481 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.35 -124.11 6.41 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -65.55 150.43 48.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.282 -1.128 . . . . 0.0 109.455 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.5 mt -143.41 97.9 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.308 -0.87 . . . . 0.0 108.999 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.25 100.89 12.22 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.464 -0.772 . . . . 0.0 109.409 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.48 -175.12 4.65 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.213 -0.929 . . . . 0.0 109.559 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.6 t -75.58 143.45 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.444 -0.785 . . . . 0.0 109.192 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -151.5 143.0 23.55 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.37 -0.831 . . . . 0.0 109.651 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -82.41 96.14 7.88 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.1 p -89.74 125.11 62.12 Favored Pre-proline 0 N--CA 1.498 1.953 0 O-C-N 121.139 -0.976 . . . . 0.0 109.126 -179.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.638 ' HA ' HG22 ' A' ' 112' ' ' THR . 73.0 Cg_exo -48.31 140.36 20.56 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 121.756 1.637 . . . . 0.0 113.55 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -66.45 -32.21 73.43 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.802 0.81 . . . . 0.0 109.298 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.4 p -62.28 -27.25 68.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.871 -0.518 . . . . 0.0 112.308 -177.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.4 m -103.09 25.81 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.26 0 O-C-N 120.778 -1.202 . . . . 0.0 111.467 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 49' ' ' LEU . 70.0 mt -90.07 138.36 31.58 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.646 -1.284 . . . . 0.0 108.512 178.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.6 mt -105.97 116.79 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.49 -0.756 . . . . 0.0 109.867 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -133.38 96.26 17.32 Favored Pre-proline 0 N--CA 1.495 1.814 0 O-C-N 121.634 -0.666 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -96.92 28.55 0.19 Allowed 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 122.97 2.447 . . . . 0.0 111.551 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tt -140.28 105.33 6.59 Favored Pre-proline 0 N--CA 1.498 1.945 0 O-C-N 121.311 -0.868 . . . . 0.0 109.476 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.53 165.25 30.89 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 121.502 1.468 . . . . 0.0 112.009 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 m -153.94 167.79 28.57 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.996 -1.065 . . . . 0.0 109.958 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.7 t -95.32 109.46 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 72.6 mt -88.37 146.62 25.16 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.117 0.961 . . . . 0.0 110.87 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -96.9 131.69 27.37 Favored Pre-proline 0 C--N 1.298 -1.66 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -75.75 -16.69 18.47 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 121.998 1.799 . . . . 0.0 113.132 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.535 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -86.8 -43.15 12.73 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.003 -1.061 . . . . 0.0 109.999 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -70.1 -31.74 69.45 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.226 -0.921 . . . . 0.0 109.687 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.49 -35.96 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.952 -1.093 . . . . 0.0 109.125 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -66.08 -38.72 88.99 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.157 -0.965 . . . . 0.0 108.743 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.403 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 23.7 t -61.47 -37.76 84.77 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.27 -0.894 . . . . 0.0 109.276 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mt -73.25 -46.66 48.73 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.1 t -55.67 -30.04 26.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -76.2 -38.76 56.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.558 -0.714 . . . . 0.0 109.561 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.9 m -64.31 -51.35 63.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.374 -0.829 . . . . 0.0 109.332 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.6 mt -58.55 -40.69 79.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.414 -0.804 . . . . 0.0 109.338 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.614 ' HE ' ' CD2' ' A' ' 108' ' ' LEU . 50.6 mtt-85 -77.03 -31.67 56.47 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.258 -0.901 . . . . 0.0 110.396 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -87.26 -36.74 17.75 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.86 -1.15 . . . . 0.0 110.066 -179.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -155.68 94.26 2.54 Favored Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.233 -0.917 . . . . 0.0 109.667 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.13 -13.54 28.58 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.54 1.493 . . . . 0.0 113.189 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -93.08 2.01 56.95 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.815 -1.178 . . . . 0.0 110.047 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.3 t -106.47 19.31 20.69 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.313 -0.867 . . . . 0.0 109.518 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.9 t -124.22 115.5 27.37 Favored Pre-proline 0 N--CA 1.501 2.104 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -75.34 162.34 36.4 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 121.675 1.584 . . . . 0.0 113.141 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.53 170.56 19.7 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.802 2.335 . . . . 0.0 112.087 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.411 HG22 ' NH2' ' A' ' 101' ' ' ARG . 7.4 pt -109.78 167.38 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.696 -0.627 . . . . 0.0 109.508 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -90.35 137.0 32.71 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.275 -0.89 . . . . 0.0 108.797 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.1 t -138.28 138.58 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.33 -0.856 . . . . 0.0 109.576 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.9 mt -86.86 132.64 33.77 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.441 -0.787 . . . . 0.0 109.184 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -113.43 111.93 22.77 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.414 HG21 HD13 ' A' ' 84' ' ' ILE . 21.2 mt -128.64 145.0 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.45 -0.781 . . . . 0.0 109.933 -178.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.529 ' HZ1' ' CG ' ' A' ' 91' ' ' ASP . 5.0 tttp -105.25 156.89 17.7 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.633 -0.667 . . . . 0.0 109.512 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.37 -168.81 31.57 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.49 -7.89 50.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.659 -0.906 . . . . 0.0 111.013 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -126.09 25.7 6.67 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.054 -1.029 . . . . 0.0 110.554 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.443 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 80.62 -12.72 32.88 Favored Glycine 0 N--CA 1.494 2.501 0 O-C-N 121.074 -1.016 . . . . 0.0 111.173 178.492 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.524 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -51.02 111.15 1.16 Allowed Glycine 0 N--CA 1.485 1.962 0 O-C-N 120.913 -1.346 . . . . 0.0 109.738 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.529 ' CG ' ' HZ1' ' A' ' 85' ' ' LYS . 3.9 m-20 -77.32 133.61 38.72 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.364 -1.08 . . . . 0.0 109.098 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.524 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.0 m-85 -127.89 123.75 35.77 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -99.68 121.3 41.03 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.217 -0.927 . . . . 0.0 110.122 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -109.34 130.33 55.5 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.56 130.36 53.47 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -129.19 89.83 2.92 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.41 ' C ' ' O3G' ' A' ' 1' ' ' ATP . . . 134.23 -160.37 24.12 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 108.017 -2.033 . . . . 0.0 108.017 -179.045 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.605 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 45.76 26.78 1.98 Allowed Glycine 0 N--CA 1.493 2.481 0 O-C-N 121.151 -1.205 . . . . 0.0 110.233 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.846 ' H ' ' PG ' ' A' ' 1' ' ' ATP . 3.2 m -63.95 -57.05 10.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.035 -1.273 . . . . 0.0 110.308 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.557 ' H ' ' PG ' ' A' ' 1' ' ' ATP . 31.3 m80 -56.3 -36.55 68.78 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.975 -1.078 . . . . 0.0 109.705 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.735 ' NH2' ' O1A' ' A' ' 1' ' ' ATP . 39.2 mtm180 -69.26 -30.9 69.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.951 -1.093 . . . . 0.0 109.59 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -65.23 -42.99 92.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.898 -1.126 . . . . 0.0 108.412 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.21 89.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.367 -0.833 . . . . 0.0 109.571 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.3 93.07 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.143 -0.973 . . . . 0.0 109.413 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -68.28 -42.71 79.12 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.174 -0.954 . . . . 0.0 108.817 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -61.6 -47.56 84.9 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.295 -0.878 . . . . 0.0 109.387 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -58.03 -42.34 85.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.358 -0.839 . . . . 0.0 109.946 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.614 ' CD2' ' HE ' ' A' ' 70' ' ' ARG . 99.9 mt -73.34 7.79 2.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.111 -0.993 . . . . 0.0 109.514 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 45.79 40.78 6.82 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.346 -0.846 . . . . 0.0 110.087 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 72.0 mmt-85 -73.97 159.4 32.79 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.013 -1.054 . . . . 0.0 108.652 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -82.26 -42.53 18.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.381 -0.824 . . . . 0.0 110.305 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.638 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.1 p -134.35 177.22 7.93 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.021 -1.049 . . . . 0.0 110.615 -178.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -140.32 141.26 25.44 Favored Pre-proline 0 N--CA 1.502 2.156 0 O-C-N 121.72 -0.613 . . . . 0.0 109.8 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -67.41 131.72 25.51 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 120.935 1.09 . . . . 0.0 110.858 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.8 133.47 13.86 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.22 -0.925 . . . . 0.0 109.54 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.408 ' HZ2' ' HB3' ' A' ' 116' ' ' LYS . 1.6 ttpp -77.55 114.22 16.17 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.444 -0.785 . . . . 0.0 108.98 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 61.0 mt -74.08 137.83 43.58 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.012 -1.055 . . . . 0.0 109.164 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.3 t -133.84 101.73 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.03 128.01 28.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.268 -0.895 . . . . 0.0 108.919 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.5 m -133.79 -178.3 4.95 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.413 -0.804 . . . . 0.0 109.591 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.7 p -122.61 160.9 24.77 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.544 -0.723 . . . . 0.0 109.381 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.7 tp -55.91 -35.72 66.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.031 -1.043 . . . . 0.0 109.72 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 69.8 m -55.4 -38.06 68.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.928 -1.107 . . . . 0.0 109.584 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -64.85 -44.68 88.97 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.006 -1.059 . . . . 0.0 108.601 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.0 tp -59.27 -39.11 81.85 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.075 -1.016 . . . . 0.0 109.037 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 130' ' ' GLY . 1.0 OUTLIER -56.3 -40.93 75.12 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.229 -0.919 . . . . 0.0 108.82 179.206 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 97.7 t -53.44 -33.56 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.075 -1.015 . . . . 0.0 108.481 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -90.37 -48.58 7.04 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.28 -0.887 . . . . 0.0 111.008 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 131' ' ' ALA . 75.5 mt -116.96 44.28 2.1 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.451 -0.78 . . . . 0.0 110.758 -177.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -64.14 39.54 0.09 OUTLIER Glycine 0 N--CA 1.489 2.186 0 C-N-CA 119.798 -1.191 . . . . 0.0 110.548 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.97 -58.05 0.13 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.813 -1.404 . . . . 0.0 109.458 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 34.1 m -99.43 37.72 1.53 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.121 -0.987 . . . . 0.0 109.245 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -76.8 119.42 77.37 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 109.879 -179.305 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -80.56 -174.87 2.42 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.971 1.781 . . . . 0.0 111.266 178.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -106.09 128.9 54.19 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.717 0.77 . . . . 0.0 109.01 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 92.5 mt -88.53 136.35 33.03 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-O 121.43 0.633 . . . . 0.0 110.264 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 . . . . . 0 N--CA 1.496 1.828 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.187 179.714 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ATP . . . . . 0.846 ' PG ' ' H ' ' A' ' 99' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.72 152.87 80.7 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.21 -1.171 . . . . 0.0 109.093 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -72.73 101.11 1.26 Allowed 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.29 1.994 . . . . 0.0 111.956 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.527 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -70.98 -28.29 64.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.251 -0.906 . . . . 0.0 109.543 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.475 ' N ' ' OE2' ' A' ' 20' ' ' GLU . . . 161.15 67.91 0.02 OUTLIER Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -46.11 97.95 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.754 2.303 . . . . 0.0 112.293 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.91 175.56 41.67 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.22 131.77 14.4 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.749 2.3 . . . . 0.0 112.006 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.5 p -65.86 -62.57 1.43 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.256 -0.903 . . . . 0.0 109.481 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.77 124.3 0.72 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.11 -18.53 6.25 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.56 -8.52 58.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.284 -1.127 . . . . 0.0 109.497 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.476 ' OE1' ' N ' ' A' ' 30' ' ' GLY . 22.6 tm0? -78.67 -60.22 2.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.266 -0.896 . . . . 0.0 109.367 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.476 ' N ' ' OE1' ' A' ' 29' ' ' GLN . . . -76.4 100.12 1.38 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.19 55.9 4.35 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 33' ' ' ILE . 62.3 m -75.47 128.46 35.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.198 -1.178 . . . . 0.0 109.406 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.596 HD13 ' N ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER -46.97 171.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.282 -0.886 . . . . 0.0 109.86 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.492 ' CG ' ' H ' ' A' ' 35' ' ' SER . 56.4 t60 -86.4 178.11 7.23 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.175 -0.953 . . . . 0.0 109.621 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.492 ' H ' ' CG ' ' A' ' 34' ' ' HIS . 21.0 t -49.19 128.35 16.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.247 -0.908 . . . . 0.0 109.508 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.71 78.61 1.76 Allowed Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.479 ' H ' ' CD ' ' A' ' 37' ' ' ARG . 1.1 mpt_? -50.24 170.5 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.251 -1.146 . . . . 0.0 109.271 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.7 mt -143.15 97.7 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.186 -0.946 . . . . 0.0 109.092 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.12 113.81 27.61 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.574 -0.704 . . . . 0.0 109.296 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.42 -175.11 4.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.228 -0.92 . . . . 0.0 109.615 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.1 t -82.55 143.8 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.468 -0.77 . . . . 0.0 109.085 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -148.35 162.22 39.98 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.29 -0.881 . . . . 0.0 109.729 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -99.31 94.43 6.45 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.1 p -87.63 127.02 59.89 Favored Pre-proline 0 N--CA 1.497 1.915 0 O-C-N 121.285 -0.884 . . . . 0.0 109.406 -178.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.646 ' HA ' HG22 ' A' ' 112' ' ' THR . 75.4 Cg_exo -47.96 140.44 18.61 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 121.761 1.64 . . . . 0.0 113.592 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mt -66.72 -32.36 73.61 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.783 0.801 . . . . 0.0 109.331 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.9 p -61.67 -28.21 69.23 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.824 -0.547 . . . . 0.0 112.214 -177.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.0 m -101.45 25.43 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 O-C-N 120.871 -1.143 . . . . 0.0 111.469 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.486 HD13 HH12 ' A' ' 51' ' ' ARG . 72.7 mt -91.76 127.54 37.25 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.663 -1.273 . . . . 0.0 108.71 178.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.7 mt -96.89 118.61 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.365 -0.834 . . . . 0.0 110.503 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.486 HH12 HD13 ' A' ' 49' ' ' LEU . 78.1 mtt85 -134.06 94.78 17.73 Favored Pre-proline 0 N--CA 1.495 1.794 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.115 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -97.68 28.19 0.18 Allowed 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 123.025 2.483 . . . . 0.0 112.132 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 53' ' ' LEU . 7.8 tp -138.9 105.23 7.41 Favored Pre-proline 0 N--CA 1.5 2.047 0 O-C-N 121.291 -0.881 . . . . 0.0 109.899 -178.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -49.36 169.76 0.1 Allowed 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 121.971 1.78 . . . . 0.0 112.309 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.3 m -156.42 163.55 39.32 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.21 -0.931 . . . . 0.0 109.715 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.4 t -106.14 113.44 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.6 mt -97.13 146.05 25.41 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 122.205 1.002 . . . . 0.0 111.068 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -103.01 133.45 20.34 Favored Pre-proline 0 C--N 1.299 -1.6 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 178.588 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -75.62 -17.22 18.4 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 121.942 1.762 . . . . 0.0 113.246 -178.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.539 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -87.03 -44.15 11.79 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.933 -1.104 . . . . 0.0 110.033 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -68.62 -31.74 71.12 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.175 -0.953 . . . . 0.0 109.8 -179.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.6 t -68.08 -35.63 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.915 -1.116 . . . . 0.0 108.959 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -65.85 -36.06 82.39 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.7 t -65.98 -37.58 86.33 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.284 -0.885 . . . . 0.0 109.49 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 mt -77.0 -43.69 33.82 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.134 -0.979 . . . . 0.0 108.79 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.15 -33.17 29.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -77.1 -35.71 56.19 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.399 -0.813 . . . . 0.0 109.788 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.4 m -66.44 -51.33 57.98 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.139 -0.975 . . . . 0.0 109.391 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.0 mt -57.57 -40.71 76.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.366 -0.834 . . . . 0.0 109.18 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.444 ' NE ' HD22 ' A' ' 108' ' ' LEU . 62.2 mtt180 -76.5 -32.46 58.32 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.286 -0.884 . . . . 0.0 110.211 -179.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -85.36 -36.46 20.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.835 -1.165 . . . . 0.0 109.801 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -159.04 102.49 1.57 Allowed Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.321 -0.862 . . . . 0.0 109.41 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.41 -20.65 31.49 Favored 'Trans proline' 0 N--CA 1.499 1.805 0 C-N-CA 121.439 1.426 . . . . 0.0 113.452 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -83.47 -23.02 32.39 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.774 -1.204 . . . . 0.0 110.346 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.7 m -75.79 14.17 0.7 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.011 -1.056 . . . . 0.0 110.121 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 t -125.18 95.33 41.77 Favored Pre-proline 0 N--CA 1.501 2.078 0 O-C-N 121.452 -0.78 . . . . 0.0 109.215 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.27 156.51 7.83 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 122.641 2.228 . . . . 0.0 112.618 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -74.3 170.97 19.0 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.687 2.258 . . . . 0.0 111.682 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.445 HG22 ' NH2' ' A' ' 101' ' ' ARG . 7.6 pt -108.97 167.02 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.609 -0.682 . . . . 0.0 109.466 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -91.22 140.09 30.13 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.176 -0.952 . . . . 0.0 108.737 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.7 t -140.04 139.2 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.505 -0.747 . . . . 0.0 109.601 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.3 mt -87.39 124.71 33.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.431 -0.793 . . . . 0.0 109.505 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -103.38 112.13 24.88 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.416 HD13 HG21 ' A' ' 84' ' ' ILE . 30.6 mt -128.43 146.32 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.285 -0.884 . . . . 0.0 109.93 -178.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.516 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 27.5 mttp -108.0 157.37 18.29 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 121.595 0.712 . . . . 0.0 109.55 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.51 -170.36 31.68 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.25 -7.15 28.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.698 -0.883 . . . . 0.0 110.79 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -129.23 32.3 4.72 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.113 -0.992 . . . . 0.0 110.634 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.85 -13.44 4.22 Favored Glycine 0 N--CA 1.495 2.603 0 O-C-N 121.09 -1.006 . . . . 0.0 111.234 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -47.83 109.51 0.48 Allowed Glycine 0 N--CA 1.487 2.057 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.516 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 5.9 m-20 -76.96 133.24 39.26 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.507 -0.996 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 96.7 m-85 -128.71 127.53 42.29 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -102.92 115.51 30.74 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.248 -0.907 . . . . 0.0 110.17 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -103.5 134.0 47.59 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.08 134.01 51.51 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.503 -0.748 . . . . 0.0 109.118 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -132.88 90.42 2.76 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 133.93 -158.9 23.54 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 108.027 -2.029 . . . . 0.0 108.027 -179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 1.016 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 45.71 25.91 1.65 Allowed Glycine 0 N--CA 1.494 2.535 0 O-C-N 121.138 -1.213 . . . . 0.0 110.326 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.559 ' N ' ' PG ' ' A' ' 1' ' ' ATP . 2.8 m -63.5 -56.69 14.11 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.073 -1.251 . . . . 0.0 110.07 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -55.41 -39.83 70.7 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.032 -1.042 . . . . 0.0 109.773 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.445 ' NH2' HG22 ' A' ' 79' ' ' ILE . 40.4 mtm180 -67.68 -31.33 71.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.945 -1.097 . . . . 0.0 109.464 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -65.81 -42.77 90.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.949 -1.094 . . . . 0.0 108.478 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.98 -40.36 84.59 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.307 -0.871 . . . . 0.0 109.669 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.05 87.92 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.161 -0.962 . . . . 0.0 109.559 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -70.01 -41.57 74.15 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.151 -0.968 . . . . 0.0 109.207 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.537 ' OE1' ' N ' ' A' ' 107' ' ' GLN . 3.0 tm0? -68.45 -39.08 81.6 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.23 -0.919 . . . . 0.0 108.819 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.537 ' N ' ' OE1' ' A' ' 106' ' ' GLN . 9.7 tm0? -62.73 -41.62 99.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.601 -0.687 . . . . 0.0 109.365 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.444 HD22 ' NE ' ' A' ' 70' ' ' ARG . 96.5 mt -76.65 11.34 1.7 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.255 -0.903 . . . . 0.0 109.629 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 46.17 46.65 13.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.336 -0.853 . . . . 0.0 110.314 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -79.96 159.75 26.18 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.988 -1.07 . . . . 0.0 108.527 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -82.02 -43.21 18.27 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.392 -0.818 . . . . 0.0 110.192 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.646 HG22 ' HA ' ' A' ' 45' ' ' PRO . 39.5 p -134.16 177.72 7.53 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.043 -1.036 . . . . 0.0 110.368 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.6 tt -139.76 141.84 29.19 Favored Pre-proline 0 N--CA 1.503 2.207 0 O-C-N 121.629 -0.67 . . . . 0.0 109.794 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -68.5 135.12 32.68 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 CA-C-N 120.088 1.067 . . . . 0.0 110.499 177.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.03 133.37 11.8 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.241 -0.912 . . . . 0.0 109.53 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.4 tttm -77.0 118.55 19.69 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.316 -0.865 . . . . 0.0 109.064 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 47.7 mt -79.23 137.28 37.34 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.217 -0.927 . . . . 0.0 108.609 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 75.4 t -136.7 103.9 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.434 -0.791 . . . . 0.0 109.463 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.608 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -46.47 130.24 10.96 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.256 -0.902 . . . . 0.0 109.53 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.4 m -136.13 -178.45 5.16 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.43 -0.794 . . . . 0.0 109.15 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.0 p -129.43 164.05 24.5 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.44 -0.788 . . . . 0.0 109.585 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 23.4 tp -57.22 -35.55 69.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.999 -1.063 . . . . 0.0 109.621 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.7 m -54.19 -45.06 72.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.91 -1.119 . . . . 0.0 109.237 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -55.43 -43.59 75.5 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 120.967 -1.083 . . . . 0.0 108.3 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.4 tp -63.29 -32.52 73.96 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.105 -0.997 . . . . 0.0 109.512 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -65.03 -26.8 68.42 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.675 -1.265 . . . . 0.0 109.155 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 57.6 t -67.6 -33.57 62.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.301 0 O-C-N 120.995 -1.066 . . . . 0.0 108.227 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -90.95 -47.17 7.74 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.351 -0.843 . . . . 0.0 110.864 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.551 ' O ' ' N ' ' A' ' 131' ' ' ALA . 59.0 mt -119.27 46.15 1.96 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.449 -0.782 . . . . 0.0 110.446 -177.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.02 38.74 0.11 Allowed Glycine 0 N--CA 1.49 2.263 0 C-N-CA 119.767 -1.206 . . . . 0.0 110.294 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.2 -54.46 0.1 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.842 -1.387 . . . . 0.0 109.427 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 18.5 m -100.06 35.48 2.05 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.226 -0.921 . . . . 0.0 109.346 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.73 118.57 72.63 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.291 -0.88 . . . . 0.0 109.479 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -78.88 -174.88 2.46 Favored 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 121.907 1.738 . . . . 0.0 111.63 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -105.81 119.88 40.3 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 96.1 mt -82.11 137.79 34.92 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.555 -0.716 . . . . 0.0 110.467 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 N--CA 1.498 1.932 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.363 179.848 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ATP . . . . . 1.016 ' O3G' ' N ' ' A' ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.624 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -76.11 -37.13 2.05 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.224 -1.163 . . . . 0.0 110.416 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 18' ' ' ALA . 49.3 Cg_exo -56.14 96.72 0.06 OUTLIER 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.115 1.876 . . . . 0.0 112.161 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -143.29 56.34 1.37 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.219 -0.926 . . . . 0.0 109.177 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.17 178.6 51.17 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.23 34.14 0.4 Allowed 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.806 2.337 . . . . 0.0 111.995 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.97 170.18 28.54 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.436 -1.465 . . . . 0.0 109.436 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.425 ' O ' ' OG ' ' A' ' 25' ' ' SER . 73.0 Cg_endo -75.23 114.07 3.92 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.828 2.352 . . . . 0.0 111.981 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 24' ' ' PRO . 49.8 m -166.61 -163.81 0.6 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.252 -0.905 . . . . 0.0 109.501 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.17 49.87 6.1 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.09 88.18 0.09 OUTLIER Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.25 -44.32 53.42 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.251 -1.146 . . . . 0.0 109.423 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -52.34 -75.0 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.245 -0.909 . . . . 0.0 109.408 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -76.28 142.83 28.79 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.07 131.13 1.82 Allowed Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.3 t -56.13 179.99 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.27 -1.135 . . . . 0.0 109.436 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.6 tt -160.76 154.91 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.232 -0.917 . . . . 0.0 109.441 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.404 ' O ' ' ND1' ' A' ' 34' ' ' HIS . 3.4 p80 -49.95 143.57 7.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 109.462 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 t -49.91 163.53 0.14 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.259 -0.901 . . . . 0.0 109.465 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.26 116.78 4.38 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -63.3 105.95 0.82 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.253 -1.145 . . . . 0.0 109.435 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.5 mt -143.28 97.76 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.216 -0.927 . . . . 0.0 109.028 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.65 93.31 6.66 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.506 -0.747 . . . . 0.0 109.392 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -148.3 -174.18 4.52 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.322 -0.861 . . . . 0.0 109.409 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.8 t -74.34 142.81 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.392 -0.818 . . . . 0.0 108.891 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -149.62 147.56 28.27 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.391 -0.818 . . . . 0.0 109.777 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -85.89 94.64 9.22 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.1 p -87.84 124.44 67.21 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.099 -1.0 . . . . 0.0 109.093 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.639 ' HA ' HG22 ' A' ' 112' ' ' THR . 71.0 Cg_exo -48.05 140.3 19.25 Favored 'Trans proline' 0 N--CA 1.499 1.852 0 C-N-CA 121.766 1.644 . . . . 0.0 113.445 -179.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.57 -31.24 71.82 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.38 -0.825 . . . . 0.0 109.314 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 p -62.88 -27.93 69.69 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.825 -0.547 . . . . 0.0 112.259 -177.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 m -102.07 23.5 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.247 0 O-C-N 120.755 -1.216 . . . . 0.0 111.397 -178.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.7 mt -91.38 124.24 35.42 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.699 -1.251 . . . . 0.0 108.839 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.2 mt -91.09 120.49 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.478 -0.764 . . . . 0.0 110.29 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.3 mtt-85 -134.88 93.64 17.37 Favored Pre-proline 0 N--CA 1.497 1.915 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -99.31 28.95 0.13 Allowed 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 123.063 2.509 . . . . 0.0 112.276 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.3 tp -138.4 104.26 7.83 Favored Pre-proline 0 N--CA 1.501 2.102 0 O-C-N 121.26 -0.9 . . . . 0.0 109.769 -178.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.32 169.44 0.15 Allowed 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 121.812 1.674 . . . . 0.0 112.176 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.6 m -158.54 163.16 37.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.953 . . . . 0.0 109.753 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.2 t -105.65 110.45 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.9 mt -92.27 145.87 24.15 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.14 -0.975 . . . . 0.0 110.933 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -101.47 134.34 20.32 Favored Pre-proline 0 C--N 1.298 -1.668 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 178.85 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -75.23 -20.14 16.7 Favored 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 122.071 1.847 . . . . 0.0 113.071 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.541 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.09 -44.96 12.54 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.983 -1.073 . . . . 0.0 110.266 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.74 ' HD3' ' H2 ' ' A' ' 1' ' ' ATP . 0.1 OUTLIER -67.85 -31.4 71.21 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.181 -0.95 . . . . 0.0 109.76 -179.126 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 58' ' ' ASP . 54.8 t -68.2 -52.73 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 120.839 -1.163 . . . . 0.0 109.074 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -50.26 -39.34 44.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.242 -0.911 . . . . 0.0 109.272 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.649 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 39.7 t -61.79 -38.01 86.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.282 -0.886 . . . . 0.0 109.339 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.8 mt -75.66 -47.9 24.39 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.276 -0.89 . . . . 0.0 108.728 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.6 t -56.18 -32.18 33.82 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -75.99 -35.42 59.6 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.407 -0.808 . . . . 0.0 109.428 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.4 m -67.01 -51.53 53.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.176 -0.952 . . . . 0.0 109.534 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.7 mt -58.05 -40.67 77.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.365 -0.835 . . . . 0.0 109.07 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -73.25 -32.19 64.55 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.305 -0.872 . . . . 0.0 110.56 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -91.43 -38.18 12.73 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.822 -1.174 . . . . 0.0 110.262 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -155.42 98.45 2.33 Favored Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.037 -1.039 . . . . 0.0 109.704 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.48 -3.84 14.45 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.677 1.584 . . . . 0.0 112.998 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -89.57 -27.97 19.88 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.895 -1.128 . . . . 0.0 110.8 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.9 t -84.07 23.1 1.08 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.74 -1.225 . . . . 0.0 109.631 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 t -120.68 108.72 36.91 Favored Pre-proline 0 N--CA 1.5 2.056 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -76.14 162.32 34.35 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.694 1.596 . . . . 0.0 113.092 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.23 172.88 15.5 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 122.866 2.377 . . . . 0.0 112.087 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.439 HG22 ' NH2' ' A' ' 101' ' ' ARG . 6.0 pt -111.94 165.39 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.688 -0.633 . . . . 0.0 109.335 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -89.69 137.47 32.3 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.196 -0.94 . . . . 0.0 108.864 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.4 t -138.66 138.4 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.674 -0.641 . . . . 0.0 109.303 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.2 mt -88.63 130.0 35.38 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.418 -0.801 . . . . 0.0 109.627 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.482 ' HE3' HE21 ' A' ' 119' ' ' GLN . 11.1 t90 -107.03 112.73 25.81 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.1 mt -128.36 141.4 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.28 -0.887 . . . . 0.0 109.91 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.593 ' HZ3' ' CG ' ' A' ' 91' ' ' ASP . 1.0 OUTLIER -101.36 156.17 17.61 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.615 -0.678 . . . . 0.0 109.255 -179.479 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.04 -171.36 31.16 Favored Glycine 0 N--CA 1.497 2.719 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.29 -12.84 61.69 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.719 -0.871 . . . . 0.0 111.002 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -120.22 22.85 11.22 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.085 -1.01 . . . . 0.0 110.189 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 81.09 -10.97 45.32 Favored Glycine 0 N--CA 1.491 2.362 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.076 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.51 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -51.01 113.62 2.3 Favored Glycine 0 N--CA 1.486 2.014 0 O-C-N 120.966 -1.314 . . . . 0.0 109.861 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.593 ' CG ' ' HZ3' ' A' ' 85' ' ' LYS . 20.3 m-20 -77.79 134.18 38.07 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.44 -1.035 . . . . 0.0 109.234 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.51 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.1 m-85 -128.78 128.98 45.04 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -106.07 122.13 45.55 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.212 -0.93 . . . . 0.0 110.234 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -106.83 136.37 46.79 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.599 -0.688 . . . . 0.0 109.181 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.1 123.42 41.52 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -129.32 88.24 2.67 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 136.43 -166.99 24.63 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 108.703 -1.759 . . . . 0.0 108.703 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.417 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 46.3 14.78 0.11 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' A' ' 97' ' ' GLY . 7.3 m -49.56 -49.55 45.85 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.059 -1.259 . . . . 0.0 109.486 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.638 ' ND1' ' O1G' ' A' ' 1' ' ' ATP . 34.2 m80 -59.99 -41.8 92.86 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.165 -0.96 . . . . 0.0 109.323 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.449 ' NH2' ' O1A' ' A' ' 1' ' ' ATP . 40.9 mtm180 -66.29 -31.1 71.69 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.053 -1.029 . . . . 0.0 109.291 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -66.26 -42.71 88.15 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.986 -1.071 . . . . 0.0 108.504 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.93 99.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.34 -0.85 . . . . 0.0 109.537 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.98 92.4 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.233 -0.917 . . . . 0.0 109.415 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -68.34 -42.25 79.56 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.198 -0.939 . . . . 0.0 108.85 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -62.63 -42.61 99.69 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.212 -0.93 . . . . 0.0 109.513 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -62.3 -36.29 81.68 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.312 -0.867 . . . . 0.0 109.573 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 110' ' ' ARG . 97.1 mt -80.51 16.99 1.18 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.277 -0.89 . . . . 0.0 109.488 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 41.77 26.2 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.604 -0.685 . . . . 0.0 110.864 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 108' ' ' LEU . 16.3 mmt180 -58.14 156.93 8.85 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 120.961 -1.087 . . . . 0.0 108.637 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -81.87 -41.9 20.35 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.424 -0.797 . . . . 0.0 110.34 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.639 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.1 p -134.31 177.46 7.74 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.031 -1.043 . . . . 0.0 110.349 -179.04 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.62 141.33 27.82 Favored Pre-proline 0 N--CA 1.503 2.184 0 O-C-N 121.661 -0.649 . . . . 0.0 109.632 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -66.98 130.92 24.06 Favored 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 120.941 1.094 . . . . 0.0 110.852 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -150.42 132.27 15.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.164 -0.96 . . . . 0.0 109.713 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -76.8 114.78 15.94 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.446 -0.784 . . . . 0.0 109.211 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 48.2 mt -79.31 133.58 36.63 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.962 -1.086 . . . . 0.0 109.079 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 57.9 t -134.53 116.27 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.617 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 21.3 mp0 -54.19 135.95 43.27 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.11 -0.994 . . . . 0.0 109.108 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.3 m -138.36 -179.57 5.87 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.26 -0.9 . . . . 0.0 109.248 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.2 p -127.84 161.82 28.13 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.613 -0.68 . . . . 0.0 109.406 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.8 tp -56.88 -36.84 70.57 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.15 -0.969 . . . . 0.0 109.819 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 35.1 t -54.26 -45.79 72.48 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.825 -1.172 . . . . 0.0 109.417 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.24 -46.92 76.03 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.146 -0.971 . . . . 0.0 108.449 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.8 tp -58.94 -38.47 79.07 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.024 -1.047 . . . . 0.0 108.962 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -56.56 -35.69 68.45 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.158 -0.964 . . . . 0.0 109.219 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 81.4 t -59.22 -33.41 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -90.51 -48.82 6.86 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.309 -0.869 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 131' ' ' ALA . 62.6 mt -116.08 44.25 1.98 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.454 -0.779 . . . . 0.0 110.302 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.65 39.18 0.1 OUTLIER Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.968 -1.111 . . . . 0.0 110.431 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.36 -58.87 0.13 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.853 -1.381 . . . . 0.0 109.618 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 17.8 m -98.65 36.43 1.65 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.998 -1.064 . . . . 0.0 109.248 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.35 119.8 77.7 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.3 -0.875 . . . . 0.0 109.969 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -79.16 -173.47 1.89 Allowed 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.95 1.767 . . . . 0.0 111.44 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -109.24 121.79 45.92 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 94.2 mt -80.42 136.59 36.38 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.482 -0.761 . . . . 0.0 110.325 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.222 179.798 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ATP . . . . . 0.74 ' H2 ' ' HD3' ' A' ' 61' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.676 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -70.67 171.52 8.0 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.248 -1.148 . . . . 0.0 108.898 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.676 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 92.5 Cg_exo -43.33 98.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.493 2.128 . . . . 0.0 112.329 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -76.53 50.72 0.69 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.266 -0.897 . . . . 0.0 109.504 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.59 -69.87 1.15 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.456 -1.458 . . . . 0.0 109.456 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.25 1.42 7.87 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.821 2.347 . . . . 0.0 111.956 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' A' ' 25' ' ' SER . . . -77.7 -175.91 44.53 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -46.08 -8.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.805 2.337 . . . . 0.0 112.31 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' GLY . 47.9 p -49.98 153.48 1.34 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.288 -0.883 . . . . 0.0 109.453 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.14 35.96 28.94 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -74.08 -27.3 66.64 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.08 -39.35 71.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.228 -1.16 . . . . 0.0 109.494 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.439 ' CD ' ' N ' ' A' ' 29' ' ' GLN . 24.4 mp0 -72.48 128.27 35.1 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.239 -0.913 . . . . 0.0 109.458 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 164.68 52.56 0.02 OUTLIER Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 169.73 -58.26 0.19 Allowed Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.3 m -165.73 169.29 15.29 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.304 -1.115 . . . . 0.0 109.435 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.2 tp -163.89 -36.14 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.26 -0.9 . . . . 0.0 109.187 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -79.26 -80.83 0.12 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.244 -0.91 . . . . 0.0 109.458 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 84.4 p -163.0 -134.58 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.26 -0.9 . . . . 0.0 109.498 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.44 -24.09 3.21 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -70.45 141.82 52.02 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.246 -1.15 . . . . 0.0 109.464 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.7 mt -143.91 97.75 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.267 -0.896 . . . . 0.0 108.994 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.38 107.17 18.7 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.525 -0.734 . . . . 0.0 109.417 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -151.43 -175.25 5.11 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.29 -0.881 . . . . 0.0 109.534 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.6 t -81.97 143.31 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.369 -0.832 . . . . 0.0 109.227 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -148.85 162.45 39.8 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.374 -0.829 . . . . 0.0 109.579 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -99.89 94.57 6.37 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.2 p -87.6 126.79 60.72 Favored Pre-proline 0 N--CA 1.498 1.936 0 O-C-N 121.291 -0.881 . . . . 0.0 109.442 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.643 ' HA ' HG22 ' A' ' 112' ' ' THR . 73.5 Cg_exo -48.06 140.23 19.42 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 121.807 1.671 . . . . 0.0 113.503 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.45 -31.79 72.75 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.831 0.824 . . . . 0.0 109.425 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.0 p -62.81 -27.8 69.56 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.759 -0.588 . . . . 0.0 112.28 -177.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.8 m -101.97 25.38 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.242 0 O-C-N 120.788 -1.195 . . . . 0.0 111.442 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 49' ' ' LEU . 71.2 mt -90.67 128.15 36.54 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.708 -1.245 . . . . 0.0 108.56 178.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.4 mt -97.79 119.29 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.395 -0.816 . . . . 0.0 110.635 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 76.6 mtt-85 -134.15 94.9 17.34 Favored Pre-proline 0 N--CA 1.494 1.752 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -97.31 27.92 0.19 Allowed 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.959 2.439 . . . . 0.0 112.062 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.9 tp -138.51 105.1 7.69 Favored Pre-proline 0 N--CA 1.499 1.991 0 O-C-N 121.315 -0.866 . . . . 0.0 109.719 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -49.04 169.42 0.1 OUTLIER 'Trans proline' 0 N--CA 1.497 1.715 0 C-N-CA 121.917 1.745 . . . . 0.0 112.309 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.0 m -158.07 162.36 38.06 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.197 -0.939 . . . . 0.0 109.787 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 56' ' ' VAL . 2.6 p -106.4 120.28 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.5 mt -104.27 145.86 29.63 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 122.228 1.013 . . . . 0.0 111.009 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -102.47 134.4 19.97 Favored Pre-proline 0 C--N 1.298 -1.634 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.83 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -75.25 -20.25 16.55 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 122.023 1.815 . . . . 0.0 113.164 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.537 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.0 -43.75 13.68 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.021 -1.049 . . . . 0.0 110.235 -179.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.425 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 8.6 ttmt -69.44 -31.39 69.69 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.191 -0.943 . . . . 0.0 109.903 -179.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 58' ' ' ASP . 55.1 t -67.94 -46.19 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.927 -1.108 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -58.88 -36.46 74.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.092 -1.005 . . . . 0.0 108.651 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.6 t -61.45 -37.72 84.58 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.258 -0.901 . . . . 0.0 109.165 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.1 mt -74.48 -48.03 29.77 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.2 t -54.75 -30.69 22.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -76.14 -35.35 59.28 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.501 -0.749 . . . . 0.0 109.466 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.4 m -67.63 -45.54 75.07 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.229 -0.919 . . . . 0.0 109.319 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.622 ' CG2' HH12 ' A' ' 110' ' ' ARG . 11.1 mt -65.36 -38.75 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.446 -0.784 . . . . 0.0 109.515 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mtp-105 -77.13 -35.23 56.35 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.22 -0.925 . . . . 0.0 110.327 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -90.43 -32.64 16.32 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.896 -1.128 . . . . 0.0 110.552 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.422 ' OD2' ' OD2' ' A' ' 74' ' ' ASP . 24.5 t70 -158.21 96.19 1.89 Allowed Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.014 -1.054 . . . . 0.0 109.937 -179.023 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -78.26 2.25 8.2 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 121.771 1.647 . . . . 0.0 112.914 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' A' ' 76' ' ' VAL . 1.1 p-10 -89.65 -43.23 10.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.988 -1.07 . . . . 0.0 109.938 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.0 m -71.86 25.58 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.035 -1.041 . . . . 0.0 109.925 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.481 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.2 t -122.23 104.71 37.59 Favored Pre-proline 0 N--CA 1.499 2.013 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -79.84 160.31 24.44 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.873 1.716 . . . . 0.0 112.758 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.24 172.15 15.45 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.842 2.361 . . . . 0.0 112.111 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 pt -110.47 165.04 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.51 134.07 33.67 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.264 -0.897 . . . . 0.0 108.652 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.2 t -138.15 138.93 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.318 -0.864 . . . . 0.0 109.479 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 mt -86.2 137.57 32.54 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.5 -0.75 . . . . 0.0 109.758 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -116.27 102.97 10.03 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.3 mt -119.21 150.58 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.41 -0.806 . . . . 0.0 109.549 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.486 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 34.2 mttp -113.46 156.92 22.66 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-O 121.83 0.824 . . . . 0.0 110.322 -179.245 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.27 -174.81 40.58 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.48 -7.11 23.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.675 -0.897 . . . . 0.0 110.862 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -126.46 24.78 6.65 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.091 -1.005 . . . . 0.0 110.664 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.29 -13.53 39.19 Favored Glycine 0 N--CA 1.495 2.602 0 O-C-N 120.964 -1.085 . . . . 0.0 111.094 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.525 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.58 108.57 0.4 Allowed Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.486 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 19.5 m-20 -77.35 134.67 38.42 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.49 -1.006 . . . . 0.0 109.351 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.525 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.4 m-85 -129.56 127.11 40.04 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -101.78 115.97 31.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.181 -0.949 . . . . 0.0 110.07 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -103.46 134.7 46.38 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.43 134.27 51.03 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.492 -0.755 . . . . 0.0 109.018 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -133.07 90.46 2.75 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 132.49 -159.31 23.36 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 107.979 -2.049 . . . . 0.0 107.979 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.7 26.52 1.85 Allowed Glycine 0 N--CA 1.494 2.552 0 O-C-N 121.158 -1.201 . . . . 0.0 110.206 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.5 m -64.19 -56.99 10.84 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.013 -1.287 . . . . 0.0 110.163 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.688 ' HB2' ' O3G' ' A' ' 1' ' ' ATP . 38.4 m80 -54.84 -37.47 66.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.9 -1.125 . . . . 0.0 109.629 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 1.157 ' NH2' ' O2B' ' A' ' 1' ' ' ATP . 39.2 mtm180 -68.21 -30.76 69.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.049 -1.032 . . . . 0.0 109.622 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -66.67 -43.46 84.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.028 -1.045 . . . . 0.0 108.8 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.8 92.98 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.275 -0.89 . . . . 0.0 109.811 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.71 -47.48 85.08 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.108 -0.995 . . . . 0.0 109.574 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -66.77 -41.55 87.53 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.135 -0.978 . . . . 0.0 108.887 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.431 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -61.59 -47.94 83.21 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.264 -0.898 . . . . 0.0 109.479 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.467 ' C ' ' H ' ' A' ' 109' ' ' GLN . 55.4 tt0 -59.38 -41.61 89.74 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.263 -0.898 . . . . 0.0 109.786 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.2 10.98 0.36 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.246 -0.909 . . . . 0.0 109.541 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.467 ' H ' ' C ' ' A' ' 107' ' ' GLN . 45.3 mm-40 45.97 30.01 0.84 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.333 -0.854 . . . . 0.0 110.232 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.622 HH12 ' CG2' ' A' ' 69' ' ' ILE . 19.8 mmt85 -65.43 155.07 36.63 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.933 -1.104 . . . . 0.0 108.55 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -81.1 -42.2 21.34 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.381 -0.825 . . . . 0.0 110.478 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.643 HG22 ' HA ' ' A' ' 45' ' ' PRO . 39.7 p -133.44 177.68 7.5 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.026 -1.047 . . . . 0.0 110.29 -178.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.78 141.6 28.25 Favored Pre-proline 0 N--CA 1.502 2.144 0 O-C-N 121.674 -0.641 . . . . 0.0 109.715 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -67.88 135.85 36.58 Favored 'Trans proline' 0 N--CA 1.491 1.362 0 CA-C-N 120.106 1.074 . . . . 0.0 110.519 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.6 133.42 12.22 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.278 -0.889 . . . . 0.0 109.553 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -76.67 110.29 11.12 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.389 -0.819 . . . . 0.0 109.067 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 60.8 mt -71.96 137.74 47.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.917 -1.115 . . . . 0.0 108.573 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 61.5 t -136.02 104.25 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.494 -0.754 . . . . 0.0 109.451 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.607 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -46.1 133.11 9.3 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.279 -0.888 . . . . 0.0 109.601 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.1 m -138.34 178.31 7.23 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.364 -0.835 . . . . 0.0 109.226 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.536 ' H ' ' CG ' ' A' ' 124' ' ' ASP . 7.0 p -126.91 160.46 30.95 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.6 tp -53.32 -40.5 64.87 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.044 -1.035 . . . . 0.0 109.399 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 11.7 t -53.26 -40.56 64.74 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.961 -1.087 . . . . 0.0 108.613 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.536 ' CG ' ' H ' ' A' ' 121' ' ' THR . 1.8 m-20 -56.02 -39.48 72.0 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.169 -0.957 . . . . 0.0 108.732 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.1 tp -69.41 -35.22 75.52 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.18 -0.95 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 130' ' ' GLY . 19.3 ttp180 -59.09 -38.42 79.47 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.974 -1.079 . . . . 0.0 108.451 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.43 -37.13 43.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 121.206 -0.934 . . . . 0.0 108.611 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -89.54 -47.65 7.83 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.158 -0.964 . . . . 0.0 110.942 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 131' ' ' ALA . 70.0 mt -117.31 45.87 1.81 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.438 -0.789 . . . . 0.0 110.344 -178.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -64.57 39.51 0.1 OUTLIER Glycine 0 N--CA 1.49 2.26 0 C-N-CA 119.792 -1.194 . . . . 0.0 110.448 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.91 -57.17 0.12 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.797 -1.413 . . . . 0.0 109.616 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 31.8 m -99.15 37.28 1.57 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.103 -0.998 . . . . 0.0 109.374 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -77.56 118.11 69.94 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.287 -0.883 . . . . 0.0 109.824 -179.387 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -79.8 -174.3 2.21 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.939 1.76 . . . . 0.0 111.303 178.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -104.88 127.91 52.89 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.791 0.805 . . . . 0.0 109.129 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 96.7 mt -91.06 138.54 31.53 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 121.535 0.684 . . . . 0.0 110.371 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.011 179.435 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ATP . . . . . 1.157 ' O2B' ' NH2' ' A' ' 101' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.16 67.61 2.38 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.259 -1.142 . . . . 0.0 109.452 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -46.11 115.24 1.04 Allowed 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.843 2.362 . . . . 0.0 112.267 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -77.58 55.56 1.33 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.203 -0.936 . . . . 0.0 109.443 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.75 -178.45 53.28 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -46.12 -41.6 21.44 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.81 2.34 . . . . 0.0 112.285 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.95 60.53 2.55 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.71 -93.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.735 2.29 . . . . 0.0 112.007 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.2 p -79.25 -62.21 1.77 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.225 -0.922 . . . . 0.0 109.488 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.05 178.13 50.54 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.93 -38.46 1.97 Allowed Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.13 -54.14 50.08 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.238 -1.154 . . . . 0.0 109.488 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -70.32 130.19 41.33 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.231 -0.918 . . . . 0.0 109.498 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 56.27 -124.85 35.94 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 162.03 57.11 0.02 OUTLIER Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.7 p -51.98 160.52 0.71 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.249 -1.148 . . . . 0.0 109.477 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.517 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 16.9 tt -167.21 161.31 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.219 -0.925 . . . . 0.0 109.503 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 33' ' ' ILE . 85.7 m-70 -159.3 156.99 29.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.327 -0.858 . . . . 0.0 109.476 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.9 t -80.37 -151.2 0.07 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.269 -0.894 . . . . 0.0 109.586 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 161.01 -48.63 0.37 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.4 mmm-85 -67.58 108.29 2.82 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.296 -1.12 . . . . 0.0 109.387 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.4 mt -143.35 97.56 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.158 -0.964 . . . . 0.0 109.113 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.27 102.68 14.51 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.474 -0.767 . . . . 0.0 109.26 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.38 -174.82 5.02 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.283 -0.886 . . . . 0.0 109.728 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 99.5 t -75.27 143.93 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.44 -0.788 . . . . 0.0 109.05 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -150.71 162.91 39.79 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.363 -0.835 . . . . 0.0 109.564 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -101.88 94.43 5.8 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.3 p -87.29 124.87 67.53 Favored Pre-proline 0 N--CA 1.497 1.913 0 O-C-N 121.2 -0.938 . . . . 0.0 109.476 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.644 ' HA ' HG22 ' A' ' 112' ' ' THR . 72.0 Cg_exo -47.75 140.07 17.98 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 121.805 1.67 . . . . 0.0 113.397 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mt -66.75 -31.47 72.14 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 121.774 0.797 . . . . 0.0 109.31 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p -62.85 -27.34 69.27 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.794 -0.566 . . . . 0.0 112.155 -177.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.5 m -103.12 24.92 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.244 0 O-C-N 120.812 -1.18 . . . . 0.0 111.339 -178.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.8 mt -90.01 134.76 34.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.631 -1.293 . . . . 0.0 108.572 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.7 mt -102.47 115.16 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.547 -0.721 . . . . 0.0 109.727 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.5 mtt-85 -133.65 94.56 18.98 Favored Pre-proline 0 N--CA 1.496 1.873 0 O-C-N 121.628 -0.67 . . . . 0.0 109.638 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -98.94 29.95 0.13 Allowed 'Trans proline' 0 C--N 1.312 -1.364 0 C-N-CA 123.152 2.568 . . . . 0.0 111.858 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.5 tt -141.18 87.74 10.52 Favored Pre-proline 0 N--CA 1.496 1.839 0 O-C-N 121.234 -0.916 . . . . 0.0 109.941 -178.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.29 169.49 0.11 Allowed 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.4 2.067 . . . . 0.0 111.875 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -159.24 165.35 33.75 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.118 -0.988 . . . . 0.0 109.995 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 56' ' ' VAL . 2.8 p -95.32 116.47 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 179.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 75.5 mt -98.77 146.22 26.13 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 122.146 0.974 . . . . 0.0 110.907 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -100.85 133.98 20.77 Favored Pre-proline 0 C--N 1.299 -1.597 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.216 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.552 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 77.3 Cg_endo -75.49 -21.51 14.9 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 121.941 1.761 . . . . 0.0 113.113 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.53 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -82.57 -40.1 21.36 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.744 -1.222 . . . . 0.0 109.964 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -73.67 -30.78 63.1 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.231 -0.918 . . . . 0.0 109.921 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 58' ' ' ASP . 75.7 t -71.92 -52.42 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.837 -1.164 . . . . 0.0 108.537 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.552 ' NE2' ' O ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -50.07 -39.8 43.42 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.602 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 57.5 m -62.6 -41.04 98.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.32 -0.862 . . . . 0.0 109.274 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.1 mt -71.03 -41.96 70.16 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.21 -0.931 . . . . 0.0 108.681 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.4 t -55.67 -36.53 42.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -76.46 -32.22 58.28 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.487 -0.758 . . . . 0.0 109.823 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.3 m -67.27 -51.82 48.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.144 -0.972 . . . . 0.0 109.593 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.1 mt -58.44 -41.12 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.388 -0.82 . . . . 0.0 109.164 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.442 ' NE ' HD22 ' A' ' 108' ' ' LEU . 58.4 mtt180 -77.15 -32.83 56.57 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.26 -0.9 . . . . 0.0 110.277 -179.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -85.46 -36.03 20.86 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.842 -1.161 . . . . 0.0 109.958 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -153.67 93.76 3.01 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.308 -0.87 . . . . 0.0 109.44 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.55 -21.26 40.11 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.389 1.393 . . . . 0.0 112.85 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -84.69 -24.99 28.72 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.896 -1.127 . . . . 0.0 110.365 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.3 t -79.08 18.08 0.69 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.941 -1.1 . . . . 0.0 109.514 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 t -124.35 112.42 27.96 Favored Pre-proline 0 N--CA 1.5 2.026 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -76.6 162.19 33.27 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 121.651 1.567 . . . . 0.0 113.016 -178.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -77.19 170.77 18.99 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.847 2.365 . . . . 0.0 112.116 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.3 pt -110.0 167.72 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.693 -0.629 . . . . 0.0 109.307 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.72 139.93 30.2 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.155 -0.965 . . . . 0.0 108.806 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.3 t -139.52 139.16 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.485 -0.76 . . . . 0.0 109.357 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.6 mt -87.18 124.46 33.31 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.357 -0.84 . . . . 0.0 109.718 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -102.27 111.37 23.63 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.405 HG21 HD13 ' A' ' 84' ' ' ILE . 18.0 mt -127.41 138.57 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.274 -0.891 . . . . 0.0 109.979 -179.288 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.56 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 2.6 tttp -100.51 156.16 17.44 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.662 -0.649 . . . . 0.0 109.384 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.02 -169.9 32.26 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.56 -7.16 36.08 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.676 -0.897 . . . . 0.0 110.696 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -129.84 39.8 3.65 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.098 -1.001 . . . . 0.0 110.763 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.63 -13.21 0.87 Allowed Glycine 0 N--CA 1.493 2.497 0 O-C-N 121.176 -0.953 . . . . 0.0 111.575 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.439 ' O ' ' CE1' ' A' ' 92' ' ' TYR . . . -51.75 112.25 1.8 Allowed Glycine 0 N--CA 1.485 1.955 0 O-C-N 120.781 -1.423 . . . . 0.0 109.86 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.56 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 18.7 m-20 -80.02 133.96 36.19 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.502 -0.999 . . . . 0.0 109.318 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.439 ' CE1' ' O ' ' A' ' 90' ' ' GLY . 97.0 m-85 -126.51 123.14 37.11 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -100.16 121.7 41.84 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.188 -0.945 . . . . 0.0 110.367 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -110.24 130.64 55.51 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.49 127.35 50.96 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -128.99 87.73 2.61 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 178.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 137.98 -165.71 25.32 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 108.771 -1.732 . . . . 0.0 108.771 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.634 ' N ' ' O1G' ' A' ' 1' ' ' ATP . . . 46.28 14.76 0.11 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 97' ' ' GLY . 4.7 m -49.74 -52.08 34.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.048 -1.266 . . . . 0.0 109.683 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -57.59 -37.58 73.43 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.065 -1.022 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.807 ' NH2' ' O1A' ' A' ' 1' ' ' ATP . 41.5 mtm180 -69.18 -30.92 69.23 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.077 -1.014 . . . . 0.0 109.534 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -65.05 -42.76 93.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.028 -1.045 . . . . 0.0 108.563 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.24 95.36 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.356 -0.84 . . . . 0.0 109.534 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.65 -46.27 90.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.227 -0.921 . . . . 0.0 109.498 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -68.17 -42.72 79.61 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.277 -0.89 . . . . 0.0 108.979 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.429 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -61.02 -52.01 66.79 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.298 -0.876 . . . . 0.0 109.554 -179.757 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 16.8 tm0? -54.8 -39.57 68.59 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.355 -0.84 . . . . 0.0 110.029 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.442 HD22 ' NE ' ' A' ' 70' ' ' ARG . 95.0 mt -73.1 10.14 1.02 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.153 -0.967 . . . . 0.0 109.687 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 44.89 37.33 2.3 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.299 -0.875 . . . . 0.0 110.387 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -72.82 159.25 34.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.123 -0.985 . . . . 0.0 108.829 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -82.14 -42.74 18.67 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.453 -0.779 . . . . 0.0 110.204 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.644 HG22 ' HA ' ' A' ' 45' ' ' PRO . 39.1 p -133.2 177.5 7.62 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.046 -1.034 . . . . 0.0 110.48 -178.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.6 tt -138.17 141.25 31.37 Favored Pre-proline 0 N--CA 1.502 2.158 0 O-C-N 121.656 -0.652 . . . . 0.0 110.076 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -68.24 132.58 26.25 Favored 'Trans proline' 0 N--CA 1.491 1.376 0 CA-C-N 119.935 1.012 . . . . 0.0 110.731 177.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.04 133.8 12.98 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.197 -0.939 . . . . 0.0 109.495 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.41 111.55 13.22 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.394 -0.817 . . . . 0.0 109.025 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 57.7 mt -73.03 137.29 45.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.978 -1.076 . . . . 0.0 108.456 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 77.1 t -137.41 104.73 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.427 -0.795 . . . . 0.0 109.532 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.607 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.5 mp0 -46.1 134.06 8.62 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.218 -0.926 . . . . 0.0 109.604 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.5 m -140.01 -179.05 5.74 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.376 -0.828 . . . . 0.0 109.33 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.3 p -128.16 160.52 31.8 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.568 -0.708 . . . . 0.0 109.514 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.6 tp -55.47 -23.11 23.88 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.25 -0.906 . . . . 0.0 109.809 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 35.8 t -64.69 -48.77 73.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.918 -1.114 . . . . 0.0 109.509 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -55.08 -42.37 72.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.078 -1.014 . . . . 0.0 108.784 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.3 tp -62.18 -38.28 88.45 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 120.945 -1.097 . . . . 0.0 108.935 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -56.57 -37.34 70.44 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.183 -0.948 . . . . 0.0 109.057 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 86.4 t -58.39 -33.82 48.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.18 -0.95 . . . . 0.0 108.477 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -90.38 -48.73 6.94 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.245 -0.91 . . . . 0.0 110.994 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 131' ' ' ALA . 67.0 mt -116.08 43.32 2.17 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.466 -0.771 . . . . 0.0 110.485 -177.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.69 38.48 0.1 Allowed Glycine 0 N--CA 1.487 2.061 0 C-N-CA 119.971 -1.109 . . . . 0.0 110.433 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.41 -59.41 0.15 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.827 -1.396 . . . . 0.0 109.445 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 21.8 t -97.99 38.0 1.36 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.019 -1.05 . . . . 0.0 109.136 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.5 119.53 77.49 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.361 -0.837 . . . . 0.0 109.933 -179.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -80.97 -174.25 2.16 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.054 1.836 . . . . 0.0 111.428 178.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -107.06 130.31 54.68 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 121.74 0.781 . . . . 0.0 108.96 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 94.1 mt -90.11 136.45 33.04 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-O 121.455 0.645 . . . . 0.0 110.378 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 . . . . . 0 N--CA 1.497 1.913 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.275 179.673 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ATP . . . . . 0.807 ' O1A' ' NH2' ' A' ' 101' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.8 153.2 23.36 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.236 -1.155 . . . . 0.0 109.089 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -36.93 136.86 0.28 Allowed 'Trans proline' 0 C--N 1.314 -1.266 0 C-N-CA 122.428 2.086 . . . . 0.0 112.401 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -67.55 143.02 56.33 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.26 -0.9 . . . . 0.0 109.487 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 159.93 -68.4 0.26 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.25 29.94 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.834 2.356 . . . . 0.0 111.991 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.32 60.42 0.27 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.72 148.64 32.83 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.701 2.267 . . . . 0.0 111.998 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.519 ' O ' ' N ' ' A' ' 27' ' ' GLY . 30.8 p -50.08 -68.14 0.2 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.261 -0.899 . . . . 0.0 109.458 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.36 88.72 0.01 OUTLIER Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 25' ' ' SER . . . 175.16 71.55 0.05 OUTLIER Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.92 -4.02 32.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.275 -1.133 . . . . 0.0 109.498 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.501 ' OE1' ' N ' ' A' ' 29' ' ' GLN . 22.3 mp0 -75.65 -42.88 50.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.258 -0.901 . . . . 0.0 109.522 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -160.9 -169.93 24.82 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.481 -1.447 . . . . 0.0 109.481 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.3 38.95 0.26 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.5 m -168.98 140.92 2.57 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.265 -1.138 . . . . 0.0 109.508 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 mm -128.55 128.32 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 121.505 -0.747 . . . . 0.0 109.162 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -169.93 -23.49 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.296 -0.878 . . . . 0.0 109.442 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.7 t -170.02 45.73 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.283 -0.886 . . . . 0.0 109.406 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -77.53 38.3 1.65 Allowed Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -50.04 160.51 0.34 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.234 -1.157 . . . . 0.0 109.376 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.1 mt -143.5 97.71 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.239 -0.913 . . . . 0.0 109.074 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.27 106.07 13.62 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -153.84 -174.31 4.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.269 -0.895 . . . . 0.0 109.766 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.2 t -75.35 142.14 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.454 -0.779 . . . . 0.0 109.016 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -147.84 147.01 29.34 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.443 -0.786 . . . . 0.0 109.588 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -85.21 95.39 9.15 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.1 p -89.39 124.48 64.35 Favored Pre-proline 0 N--CA 1.497 1.878 0 O-C-N 121.187 -0.946 . . . . 0.0 109.101 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.646 ' HA ' HG22 ' A' ' 112' ' ' THR . 83.1 Cg_exo -47.77 140.42 17.63 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 121.955 1.77 . . . . 0.0 113.7 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.5 -28.5 67.89 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.333 -0.854 . . . . 0.0 108.915 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.2 t -69.81 -15.2 63.07 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.575 -0.703 . . . . 0.0 112.496 -177.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.9 m -112.54 23.49 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.291 0 O-C-N 120.675 -1.266 . . . . 0.0 110.639 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.0 mt -92.47 123.22 35.62 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.819 -1.176 . . . . 0.0 109.008 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.5 mt -88.56 122.23 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.334 -0.854 . . . . 0.0 109.926 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -134.94 94.53 16.22 Favored Pre-proline 0 N--CA 1.496 1.868 0 O-C-N 121.589 -0.694 . . . . 0.0 109.547 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.667 ' O ' HD12 ' A' ' 53' ' ' LEU . 15.7 Cg_endo -98.54 31.33 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 123.142 2.561 . . . . 0.0 112.145 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 52' ' ' PRO . 1.1 mp -141.18 137.69 17.04 Favored Pre-proline 0 N--CA 1.499 2.01 0 O-C-N 121.015 -1.053 . . . . 0.0 108.937 -179.111 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -75.04 167.51 26.86 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.255 1.97 . . . . 0.0 111.869 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.7 m -154.57 160.43 41.49 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.11 -0.994 . . . . 0.0 109.781 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.447 ' O ' ' CG1' ' A' ' 56' ' ' VAL . 2.5 p -108.65 120.13 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.4 mt -103.79 146.34 28.77 Favored 'General case' 0 N--CA 1.498 1.925 0 CA-C-O 122.014 0.911 . . . . 0.0 110.728 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 3.6 t70 -112.31 139.97 23.14 Favored Pre-proline 0 N--CA 1.491 1.595 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.82 -22.55 17.5 Favored 'Trans proline' 0 N--CA 1.497 1.68 0 C-N-CA 121.998 1.799 . . . . 0.0 112.977 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.455 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -78.88 -39.55 34.75 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.12 -0.987 . . . . 0.0 110.399 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -76.51 -32.22 58.16 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.972 -1.08 . . . . 0.0 109.911 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.5 t -69.75 -37.91 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.92 -1.112 . . . . 0.0 109.348 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -67.08 -38.21 85.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.17 -0.956 . . . . 0.0 108.727 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.807 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 9.1 t -64.0 -37.39 87.24 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.297 -0.877 . . . . 0.0 109.279 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.58 -47.0 20.48 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.263 -0.898 . . . . 0.0 108.835 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.3 t -54.59 -31.82 24.14 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 O-C-N 121.203 -0.936 . . . . 0.0 108.565 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.54 -39.95 51.36 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.39 -0.819 . . . . 0.0 109.781 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.6 m -64.64 -50.94 65.14 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.055 -1.028 . . . . 0.0 109.099 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.634 ' CG2' HH12 ' A' ' 110' ' ' ARG . 21.7 mt -55.85 -41.82 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.237 -0.914 . . . . 0.0 108.886 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.474 ' NE ' ' CD2' ' A' ' 108' ' ' LEU . 73.6 mtt180 -77.8 -23.13 49.19 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.335 -0.853 . . . . 0.0 110.714 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -97.14 -31.74 12.31 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.804 -1.185 . . . . 0.0 110.09 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -164.87 89.56 1.01 Allowed Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.207 -0.933 . . . . 0.0 109.906 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.77 -14.48 45.08 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 121.782 1.654 . . . . 0.0 113.698 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -84.02 -24.73 30.38 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.679 -1.263 . . . . 0.0 110.377 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.5 p -83.15 22.0 1.03 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.957 -1.09 . . . . 0.0 109.972 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 t -122.26 96.5 46.21 Favored Pre-proline 0 N--CA 1.501 2.111 0 O-C-N 121.235 -0.916 . . . . 0.0 109.306 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.56 156.19 6.55 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.478 2.119 . . . . 0.0 112.526 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.5 171.69 17.76 Favored 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 122.629 2.22 . . . . 0.0 111.757 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.506 HG22 ' NH2' ' A' ' 101' ' ' ARG . 9.7 pt -105.88 166.01 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.561 -0.712 . . . . 0.0 109.447 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -89.46 130.37 35.82 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.264 -0.897 . . . . 0.0 108.764 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.0 t -137.31 140.19 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.291 -0.88 . . . . 0.0 109.632 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.1 mt -91.5 133.18 35.73 Favored 'General case' 0 N--CA 1.5 2.063 0 CA-C-O 121.651 0.739 . . . . 0.0 109.855 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.471 ' HE3' HE21 ' A' ' 119' ' ' GLN . 11.4 t90 -108.7 113.32 26.19 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.8 mt -131.89 145.99 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.283 -0.885 . . . . 0.0 109.682 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.481 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 38.3 mttp -109.66 156.59 20.05 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-O 121.86 0.838 . . . . 0.0 110.421 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.3 -174.4 38.9 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.52 -6.94 22.12 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.671 -0.9 . . . . 0.0 110.844 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -126.37 24.94 6.68 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.087 -1.008 . . . . 0.0 110.675 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.47 -14.01 37.59 Favored Glycine 0 N--CA 1.496 2.643 0 C-N-CA 120.072 -1.061 . . . . 0.0 111.123 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.521 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -49.11 108.47 0.43 Allowed Glycine 0 N--CA 1.487 2.07 0 O-C-N 120.827 -1.396 . . . . 0.0 109.63 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.481 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 6.8 m-20 -77.72 136.02 38.12 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.444 -1.033 . . . . 0.0 108.922 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.521 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 98.8 m-85 -129.8 129.09 43.61 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -104.65 119.34 38.76 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.291 -0.881 . . . . 0.0 110.122 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -104.14 131.12 51.76 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.15 120.87 39.02 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -123.3 86.03 2.51 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 137.16 -152.74 21.55 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.09 16.72 0.08 OUTLIER Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 97' ' ' GLY . 7.0 m -50.58 -49.73 55.57 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.168 -1.195 . . . . 0.0 110.027 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -67.51 -55.08 14.94 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.169 -0.957 . . . . 0.0 110.053 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.506 ' NH2' HG22 ' A' ' 79' ' ' ILE . 43.4 mtm180 -53.51 -30.72 42.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.899 -1.126 . . . . 0.0 109.283 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -66.18 -43.79 85.87 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.963 -1.085 . . . . 0.0 108.52 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.11 -45.99 91.13 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.312 -0.868 . . . . 0.0 109.619 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.79 -44.48 86.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.166 -0.959 . . . . 0.0 109.428 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -69.55 -43.17 73.5 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.196 -0.94 . . . . 0.0 108.945 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -60.22 -50.89 71.88 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.245 -0.91 . . . . 0.0 109.471 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.408 ' C ' ' H ' ' A' ' 109' ' ' GLN . 11.0 tm0? -54.07 -42.67 69.56 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.473 -0.767 . . . . 0.0 110.03 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.474 ' CD2' ' NE ' ' A' ' 70' ' ' ARG . 75.8 mt -73.53 11.08 0.87 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.072 -1.018 . . . . 0.0 109.67 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.408 ' H ' ' C ' ' A' ' 107' ' ' GLN . 48.7 mm-40 45.36 28.89 0.51 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.341 -0.849 . . . . 0.0 110.283 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.634 HH12 ' CG2' ' A' ' 69' ' ' ILE . 21.0 mmt85 -63.41 156.11 26.98 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.015 -1.053 . . . . 0.0 108.52 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -80.3 -41.58 24.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.348 -0.845 . . . . 0.0 110.643 -178.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.646 HG22 ' HA ' ' A' ' 45' ' ' PRO . 33.9 p -133.17 177.05 7.97 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.997 -1.065 . . . . 0.0 110.763 -178.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.7 tt -139.86 141.56 27.92 Favored Pre-proline 0 N--CA 1.504 2.226 0 O-C-N 121.694 -0.629 . . . . 0.0 109.785 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.47 130.1 21.58 Favored 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 120.941 1.094 . . . . 0.0 110.838 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.42 137.2 25.39 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.22 -0.925 . . . . 0.0 109.738 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -80.46 111.86 17.26 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 42.9 mt -79.07 132.81 36.73 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.851 -1.156 . . . . 0.0 109.128 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 58.1 t -132.88 115.84 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.616 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 21.8 mp0 -54.19 134.71 44.56 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.026 -1.046 . . . . 0.0 109.111 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.1 m -138.15 -179.71 5.94 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.284 -0.885 . . . . 0.0 109.096 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.8 p -128.21 160.75 31.13 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.586 -0.696 . . . . 0.0 109.374 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.0 tp -55.26 -35.64 65.22 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.119 -0.988 . . . . 0.0 109.72 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.2 t -54.85 -46.01 74.62 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.871 -1.143 . . . . 0.0 109.428 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -55.39 -46.88 76.54 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.065 -1.022 . . . . 0.0 108.476 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.4 tp -58.74 -38.32 78.12 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.052 -1.03 . . . . 0.0 108.934 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.8 ttm-85 -57.55 -35.63 70.59 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.185 -0.947 . . . . 0.0 109.33 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 82.3 t -59.2 -33.53 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.067 -1.021 . . . . 0.0 108.325 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -90.69 -48.35 7.11 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.361 -0.837 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 131' ' ' ALA . 42.6 mt -115.73 44.24 1.93 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.383 -0.823 . . . . 0.0 110.216 -178.219 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.64 38.38 0.1 OUTLIER Glycine 0 N--CA 1.488 2.153 0 C-N-CA 119.959 -1.115 . . . . 0.0 110.35 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.71 -54.9 0.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.81 -1.406 . . . . 0.0 109.4 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.6 t -99.29 37.56 1.54 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.187 -0.945 . . . . 0.0 109.184 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.89 117.79 68.76 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.38 -0.825 . . . . 0.0 110.172 -179.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -81.27 -174.09 2.07 Favored 'Trans proline' 0 N--CA 1.488 1.204 0 C-N-CA 122.03 1.82 . . . . 0.0 111.117 178.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -105.66 128.39 53.62 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.43 -0.794 . . . . 0.0 109.013 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 95.9 mt -89.21 137.36 32.39 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 121.475 0.655 . . . . 0.0 110.274 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 117.904 -1.046 . . . . 0.0 109.037 179.449 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ATP . . . . . 0.807 ' N6 ' ' OG ' ' A' ' 64' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -167.07 152.85 7.49 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.229 -1.159 . . . . 0.0 109.081 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -72.76 164.97 34.08 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.278 1.985 . . . . 0.0 111.967 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -65.32 138.71 58.36 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.239 -0.913 . . . . 0.0 109.497 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.76 -59.82 0.23 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -45.88 150.39 1.76 Allowed 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.697 2.265 . . . . 0.0 112.249 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.06 60.39 6.87 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.63 163.88 33.18 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.725 2.284 . . . . 0.0 111.987 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 76.4 p -167.23 -152.94 0.14 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.274 -0.891 . . . . 0.0 109.452 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.03 100.36 0.18 Allowed Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.87 165.14 17.05 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.73 -12.18 1.75 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.255 -1.144 . . . . 0.0 109.475 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -60.24 160.94 7.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.204 -0.935 . . . . 0.0 109.433 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.2 157.33 11.62 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 160.99 -123.91 1.26 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.456 -1.458 . . . . 0.0 109.456 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.2 p -64.32 179.97 0.52 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.242 -1.152 . . . . 0.0 109.467 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.502 HG23 ' N ' ' A' ' 34' ' ' HIS . 14.6 tt -162.13 -41.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.261 -0.899 . . . . 0.0 109.498 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.502 ' N ' HG23 ' A' ' 33' ' ' ILE . 46.6 t-80 -73.45 -76.7 0.12 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.894 . . . . 0.0 109.449 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.8 t -162.67 155.48 19.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.222 -0.924 . . . . 0.0 109.479 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.43 -155.32 8.54 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -79.29 108.69 12.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.172 -1.193 . . . . 0.0 109.464 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.9 mt -143.81 97.83 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.157 -0.964 . . . . 0.0 108.902 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.66 90.66 8.46 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.537 -0.727 . . . . 0.0 109.468 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -144.8 -174.36 4.32 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.263 -0.898 . . . . 0.0 109.459 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.4 t -74.87 143.39 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.387 -0.821 . . . . 0.0 109.084 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -151.31 145.79 25.57 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.336 -0.853 . . . . 0.0 109.732 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -83.45 95.46 8.27 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.408 ' CG1' HD21 ' A' ' 49' ' ' LEU . 4.1 p -88.96 124.94 63.99 Favored Pre-proline 0 N--CA 1.496 1.867 0 O-C-N 121.139 -0.976 . . . . 0.0 108.856 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.663 ' HA ' HG22 ' A' ' 112' ' ' THR . 50.6 Cg_exo -47.92 142.48 15.06 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 C-N-CA 121.838 1.692 . . . . 0.0 113.75 -178.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.2 mt -68.83 -32.53 72.29 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.245 -0.909 . . . . 0.0 109.097 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.4 p -66.0 -17.67 64.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.784 -0.573 . . . . 0.0 112.253 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.2 m -111.1 26.28 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.217 0 O-C-N 120.805 -1.184 . . . . 0.0 110.687 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.588 HD13 HH12 ' A' ' 51' ' ' ARG . 68.5 mt -95.27 127.81 41.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.959 -1.088 . . . . 0.0 108.806 178.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.0 mt -95.8 119.72 44.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.323 -0.861 . . . . 0.0 110.392 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.588 HH12 HD13 ' A' ' 49' ' ' LEU . 76.6 mtt85 -134.62 95.28 16.06 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.795 -0.565 . . . . 0.0 109.739 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -97.2 28.11 0.19 Allowed 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.965 2.443 . . . . 0.0 111.385 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tt -141.69 97.85 6.53 Favored Pre-proline 0 N--CA 1.495 1.782 0 O-C-N 121.402 -0.811 . . . . 0.0 109.35 -178.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.52 163.43 36.08 Favored 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 121.405 1.403 . . . . 0.0 111.641 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 m -151.38 167.49 27.77 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.111 -0.993 . . . . 0.0 110.001 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 56' ' ' VAL . 3.5 p -89.42 110.18 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.8 mt -87.34 146.63 25.83 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.998 -1.064 . . . . 0.0 110.653 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -95.6 132.64 27.05 Favored Pre-proline 0 C--N 1.296 -1.724 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.086 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -75.16 -19.98 16.99 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 121.97 1.78 . . . . 0.0 112.983 -178.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.541 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -84.16 -45.27 13.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.072 -1.017 . . . . 0.0 110.043 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.438 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 9.5 ttmt -66.78 -31.87 72.78 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.203 -0.936 . . . . 0.0 109.81 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.15 -36.03 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.858 -1.151 . . . . 0.0 108.545 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -62.87 -45.19 93.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.373 -0.829 . . . . 0.0 109.13 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . 1.342 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 9.2 t -56.36 -39.44 72.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.332 -0.855 . . . . 0.0 109.303 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.8 mt -72.93 -50.43 23.61 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.232 -0.917 . . . . 0.0 108.561 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.0 t -55.98 -32.28 32.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -76.18 -38.61 56.38 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.449 -0.782 . . . . 0.0 110.003 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.936 ' OG1' ' N7 ' ' A' ' 1' ' ' ATP . 7.2 m -64.99 -51.75 59.95 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.046 -1.034 . . . . 0.0 109.427 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.633 ' CG2' HH12 ' A' ' 110' ' ' ARG . 13.8 mt -56.5 -41.37 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.293 -0.879 . . . . 0.0 108.771 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.406 ' NE ' ' CD2' ' A' ' 108' ' ' LEU . 70.0 mtt180 -77.4 -27.09 52.28 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.293 -0.879 . . . . 0.0 110.372 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -89.81 -37.09 14.73 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.745 -1.222 . . . . 0.0 109.532 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -161.39 99.83 1.24 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.237 -0.914 . . . . 0.0 109.327 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.85 -4.96 16.19 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.522 1.481 . . . . 0.0 113.166 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -89.01 -26.1 21.64 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.868 -1.145 . . . . 0.0 110.82 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.6 t -88.52 25.33 1.72 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.792 -1.193 . . . . 0.0 109.575 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.9 t -118.31 110.74 39.01 Favored Pre-proline 0 N--CA 1.499 2.003 0 O-C-N 121.333 -0.854 . . . . 0.0 108.742 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.71 162.17 30.13 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 121.671 1.581 . . . . 0.0 112.945 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -79.14 172.56 14.61 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 122.873 2.382 . . . . 0.0 112.198 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.3 pt -111.44 165.39 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 80' ' ' ASP . 1.1 p-10 -87.26 136.26 33.0 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.247 -0.908 . . . . 0.0 109.166 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.1 t -138.31 141.92 36.6 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.287 -0.883 . . . . 0.0 109.492 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.0 mt -90.27 131.75 35.91 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.388 -0.82 . . . . 0.0 109.868 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -107.59 112.78 25.68 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.3 mt -130.43 144.03 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.211 -0.931 . . . . 0.0 109.615 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.523 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 37.1 mttp -109.71 156.38 20.34 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 121.781 0.8 . . . . 0.0 110.257 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.1 -174.57 39.24 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.39 -7.29 23.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.737 -0.861 . . . . 0.0 110.835 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -125.87 24.67 7.01 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.08 -1.012 . . . . 0.0 110.699 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.12 -13.55 38.01 Favored Glycine 0 N--CA 1.496 2.65 0 O-C-N 121.011 -1.055 . . . . 0.0 111.16 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.53 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.85 109.09 0.49 Allowed Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.523 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 14.2 m-20 -77.67 135.33 38.07 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.449 -1.03 . . . . 0.0 109.175 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.53 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.0 m-85 -129.97 122.76 29.12 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -98.98 118.02 34.81 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.254 -0.903 . . . . 0.0 110.09 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -106.6 134.35 49.88 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.46 134.75 52.97 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.477 -0.764 . . . . 0.0 109.215 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -135.08 91.0 2.69 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 131.95 -167.04 22.96 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 108.523 -1.831 . . . . 0.0 108.523 -179.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 1.119 ' N ' ' O1G' ' A' ' 1' ' ' ATP . . . 46.3 15.1 0.12 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 97' ' ' GLY . 7.1 m -49.44 -52.54 28.23 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.096 -1.237 . . . . 0.0 109.445 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.573 ' N ' ' O2G' ' A' ' 1' ' ' ATP . 34.7 m80 -55.01 -30.63 59.92 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.219 -0.925 . . . . 0.0 109.054 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -29.04 66.38 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 109.561 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.32 -45.49 62.88 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.134 -0.979 . . . . 0.0 109.454 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.06 -41.31 83.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.14 -0.975 . . . . 0.0 109.822 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.07 -48.94 76.49 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.138 -0.976 . . . . 0.0 109.675 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -66.12 -41.56 90.38 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.214 -0.929 . . . . 0.0 108.835 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.428 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -62.1 -46.58 88.42 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.31 -0.868 . . . . 0.0 109.341 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -57.96 -40.85 81.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.295 -0.878 . . . . 0.0 109.971 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.406 ' CD2' ' NE ' ' A' ' 70' ' ' ARG . 98.6 mt -74.58 6.74 3.52 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.16 -0.962 . . . . 0.0 109.503 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 47.12 45.65 16.07 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.345 -0.847 . . . . 0.0 110.151 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.633 HH12 ' CG2' ' A' ' 69' ' ' ILE . 21.0 mmt85 -80.71 160.7 24.88 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.985 -1.072 . . . . 0.0 108.583 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 111' ' ' GLU . 21.7 mp0 -81.66 -41.51 21.29 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.313 -0.867 . . . . 0.0 110.407 -179.21 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.663 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.8 p -135.0 177.22 7.97 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.031 -1.043 . . . . 0.0 110.463 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.4 tt -139.41 141.16 27.9 Favored Pre-proline 0 N--CA 1.504 2.233 0 O-C-N 121.739 -0.601 . . . . 0.0 109.833 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.3 130.2 22.03 Favored 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 120.902 1.068 . . . . 0.0 110.792 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -149.46 133.85 17.47 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.192 -0.943 . . . . 0.0 109.292 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -79.5 117.59 20.59 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.301 -0.874 . . . . 0.0 109.001 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 49.4 mt -77.89 136.13 38.0 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.23 -0.919 . . . . 0.0 108.561 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.2 t -133.29 108.72 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.536 -0.727 . . . . 0.0 109.203 -179.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.653 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 14.8 mp0 -46.15 134.01 8.78 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.287 -0.883 . . . . 0.0 109.106 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.8 m -141.7 179.52 6.79 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.166 -0.959 . . . . 0.0 109.309 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.0 p -131.83 160.9 34.29 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.532 -0.73 . . . . 0.0 109.385 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.3 tp -54.54 -25.45 25.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.181 -0.949 . . . . 0.0 109.684 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 57.7 m -62.97 -48.22 79.8 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.95 -1.094 . . . . 0.0 109.535 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -55.17 -41.65 72.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.157 -0.964 . . . . 0.0 108.82 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.5 tp -61.82 -38.29 87.62 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.085 -1.01 . . . . 0.0 109.134 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.1 ttm105 -57.86 -37.07 73.26 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.07 -1.019 . . . . 0.0 109.175 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.6 t -57.65 -34.91 48.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.148 -0.97 . . . . 0.0 108.44 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -90.49 -48.32 7.17 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.337 -0.852 . . . . 0.0 110.922 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.551 ' O ' ' N ' ' A' ' 131' ' ' ALA . 75.6 mt -115.12 43.61 1.97 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.435 -0.79 . . . . 0.0 110.302 -178.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.85 38.95 0.1 Allowed Glycine 0 N--CA 1.489 2.214 0 C-N-CA 119.913 -1.137 . . . . 0.0 110.334 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.87 -59.53 0.14 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.781 -1.423 . . . . 0.0 109.564 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.9 t -97.64 37.48 1.38 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.04 -1.038 . . . . 0.0 109.232 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.71 117.93 67.2 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.292 -0.88 . . . . 0.0 110.044 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -81.48 -174.38 2.16 Favored 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 122.018 1.812 . . . . 0.0 111.375 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -105.67 129.51 53.88 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.733 0.778 . . . . 0.0 109.003 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 93.8 mt -89.81 137.27 32.48 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.512 0.672 . . . . 0.0 110.399 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 117.891 -1.052 . . . . 0.0 109.036 179.424 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ATP . . . . . 1.342 ' N6 ' ' OG ' ' A' ' 64' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -170.02 153.23 4.65 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.252 -1.146 . . . . 0.0 109.138 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -36.66 -53.22 1.14 Allowed 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 122.459 2.106 . . . . 0.0 112.411 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.17 4.85 0.08 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.239 -0.913 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 160.25 169.65 23.82 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.38 -95.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.802 2.334 . . . . 0.0 111.934 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 158.86 -65.89 0.29 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -41.72 139.22 2.24 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.762 2.308 . . . . 0.0 112.359 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.7 t -169.82 12.74 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.255 -0.903 . . . . 0.0 109.474 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.6 -43.62 0.05 OUTLIER Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.24 56.54 2.8 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.25 -46.15 65.01 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.319 -1.106 . . . . 0.0 109.449 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.671 HE22 ' HA2' ' A' ' 31' ' ' GLY . 3.4 tm0? -76.06 144.78 40.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.221 -0.924 . . . . 0.0 109.365 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 29' ' ' GLN . . . -59.91 -110.98 0.01 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.671 ' HA2' HE22 ' A' ' 29' ' ' GLN . . . 165.66 -80.54 0.11 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.3 p -79.25 118.25 21.01 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.231 -1.158 . . . . 0.0 109.475 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.8 mm -79.21 160.94 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.312 -0.867 . . . . 0.0 109.426 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -58.42 123.37 15.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.262 -0.899 . . . . 0.0 109.429 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 37' ' ' ARG . 59.4 m -79.88 43.67 0.61 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.258 -0.901 . . . . 0.0 109.465 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.09 63.33 0.74 Allowed Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 35' ' ' SER . 29.3 ttm180 -170.04 158.55 7.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.321 -1.105 . . . . 0.0 109.394 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.1 mt -143.59 98.01 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.267 -0.896 . . . . 0.0 109.045 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.47 113.87 24.27 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.02 -174.13 4.77 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.283 -0.886 . . . . 0.0 109.777 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.2 t -74.96 144.36 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -149.66 142.39 24.61 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.291 -0.88 . . . . 0.0 109.733 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -82.64 95.32 7.77 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.447 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.3 p -87.81 123.8 68.45 Favored Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 121.169 -0.957 . . . . 0.0 109.256 -179.056 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.642 ' HA ' HG22 ' A' ' 112' ' ' THR . 77.5 Cg_exo -47.46 140.07 16.44 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 121.856 1.704 . . . . 0.0 113.345 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.8 -30.47 70.68 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.443 -0.785 . . . . 0.0 109.321 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p -62.92 -27.35 69.31 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.813 -0.555 . . . . 0.0 112.107 -177.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.3 m -103.57 26.27 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.228 0 O-C-N 120.788 -1.195 . . . . 0.0 111.351 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.0 mt -90.3 138.32 31.63 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.707 -1.246 . . . . 0.0 108.838 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.4 mt -109.5 113.13 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.599 -0.688 . . . . 0.0 109.394 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.9 mtp-105 -134.62 96.63 14.9 Favored Pre-proline 0 N--CA 1.498 1.941 0 O-C-N 121.547 -0.721 . . . . 0.0 109.775 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -96.04 28.06 0.23 Allowed 'Trans proline' 0 C--N 1.314 -1.268 0 C-N-CA 122.911 2.407 . . . . 0.0 111.618 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.9 tt -141.34 93.68 7.87 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.303 -0.873 . . . . 0.0 109.426 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -75.22 164.12 33.56 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 121.66 1.574 . . . . 0.0 111.845 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 m -149.07 168.91 21.89 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.147 -0.971 . . . . 0.0 109.878 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.8 t -87.67 108.89 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.596 HD21 ' SG ' ' A' ' 99' ' ' CYS . 77.7 mt -88.38 146.77 25.08 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 122.056 0.931 . . . . 0.0 110.759 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.6 OUTLIER -95.38 130.36 32.42 Favored Pre-proline 0 C--N 1.298 -1.646 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.867 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -75.69 -19.1 16.75 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.792 1.661 . . . . 0.0 112.952 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.521 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -83.1 -42.39 17.45 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.052 -1.03 . . . . 0.0 110.091 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -31.76 68.55 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.133 -0.979 . . . . 0.0 109.622 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.4 t -70.97 -50.94 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.021 -1.049 . . . . 0.0 109.034 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -42.27 46.29 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.1 t -60.5 -45.74 92.68 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.326 -0.858 . . . . 0.0 109.412 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.8 mt -63.79 -42.95 97.62 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.19 -0.944 . . . . 0.0 108.734 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.4 t -55.25 -33.29 30.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.27 -33.91 59.12 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.38 -0.825 . . . . 0.0 109.401 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.9 m -67.27 -50.97 58.39 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.12 -0.987 . . . . 0.0 109.231 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.8 mt -58.02 -41.33 80.12 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.426 -0.796 . . . . 0.0 109.261 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -77.34 -32.23 55.01 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.244 -0.91 . . . . 0.0 110.319 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -86.4 -34.48 20.16 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.909 -1.119 . . . . 0.0 110.209 -178.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -154.66 85.88 3.62 Favored Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.141 -0.975 . . . . 0.0 109.766 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -62.11 -20.63 70.44 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.728 1.619 . . . . 0.0 113.191 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -85.78 -26.8 25.58 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.774 -1.204 . . . . 0.0 110.528 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.2 m -77.81 16.91 0.62 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.871 -1.143 . . . . 0.0 109.636 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 t -119.52 113.42 34.98 Favored Pre-proline 0 N--CA 1.5 2.045 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -76.46 162.21 33.62 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 121.672 1.581 . . . . 0.0 113.097 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -77.65 172.13 16.29 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 122.878 2.385 . . . . 0.0 112.106 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.433 HG22 ' NH2' ' A' ' 101' ' ' ARG . 7.2 pt -110.0 167.67 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -91.4 135.27 33.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.169 -0.957 . . . . 0.0 109.036 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.9 t -138.06 138.32 43.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.371 -0.831 . . . . 0.0 109.401 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.3 mt -86.29 142.01 28.83 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.422 -0.799 . . . . 0.0 109.94 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.464 ' HE3' HE21 ' A' ' 119' ' ' GLN . 11.3 t90 -117.74 113.12 21.37 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.1 mt -131.81 145.11 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.309 -0.87 . . . . 0.0 110.031 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.507 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 38.5 mttp -108.42 156.76 19.08 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.564 0.697 . . . . 0.0 109.567 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.22 -167.18 30.18 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.03 -7.18 33.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.627 -0.925 . . . . 0.0 110.763 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.418 ' C ' ' H ' ' A' ' 90' ' ' GLY . 38.1 mt-30 -130.2 39.46 3.66 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.054 -1.029 . . . . 0.0 110.672 -179.268 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.57 -11.92 0.54 Allowed Glycine 0 N--CA 1.494 2.537 0 O-C-N 121.217 -0.927 . . . . 0.0 111.639 178.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -49.37 109.42 0.59 Allowed Glycine 0 N--CA 1.485 1.924 0 O-C-N 120.771 -1.429 . . . . 0.0 109.559 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.507 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 7.7 m-20 -78.57 134.36 37.23 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.38 -1.071 . . . . 0.0 108.703 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 95.1 m-85 -128.61 125.21 37.71 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -100.74 121.32 41.47 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.217 -0.927 . . . . 0.0 110.293 -178.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -108.99 136.58 48.28 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.6 130.36 51.51 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 179.136 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -130.86 89.89 2.82 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 136.59 -156.66 23.24 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 107.887 -2.085 . . . . 0.0 107.887 -179.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.518 ' N ' ' O1G' ' A' ' 1' ' ' ATP . . . 46.34 14.39 0.1 OUTLIER Glycine 0 N--CA 1.493 2.477 0 O-C-N 121.005 -1.291 . . . . 0.0 110.074 179.427 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.596 ' SG ' HD21 ' A' ' 57' ' ' LEU . 4.7 t -50.69 -43.31 57.58 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.142 -1.21 . . . . 0.0 110.055 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.725 ' N ' ' O2G' ' A' ' 1' ' ' ATP . 29.0 m80 -76.03 -53.94 7.6 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.054 -1.029 . . . . 0.0 109.57 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.446 ' NH2' ' O1A' ' A' ' 1' ' ' ATP . 25.0 mtm180 -53.48 -29.79 37.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.918 -1.114 . . . . 0.0 108.801 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -67.2 -42.36 84.26 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.23 91.6 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.308 -0.87 . . . . 0.0 109.699 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.0 93.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.181 -0.949 . . . . 0.0 109.379 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -68.78 -42.41 77.45 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.227 -0.921 . . . . 0.0 108.933 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.441 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -61.74 -45.82 92.28 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.249 -0.907 . . . . 0.0 109.452 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.407 ' C ' ' H ' ' A' ' 109' ' ' GLN . 36.0 tt0 -60.99 -43.29 99.05 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.351 -0.843 . . . . 0.0 110.112 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.4 mt -70.28 6.19 1.43 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.05 -1.031 . . . . 0.0 109.718 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.407 ' H ' ' C ' ' A' ' 107' ' ' GLN . 42.2 tt0 45.09 37.38 2.5 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.378 -0.826 . . . . 0.0 110.286 179.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -70.17 161.37 30.35 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.006 -1.059 . . . . 0.0 108.54 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.416 ' CD ' ' N ' ' A' ' 111' ' ' GLU . 16.6 mp0 -80.07 -40.01 28.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.394 -0.816 . . . . 0.0 110.775 -178.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.642 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.7 p -134.38 177.4 7.79 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.066 -1.021 . . . . 0.0 110.656 -178.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -138.61 141.35 30.68 Favored Pre-proline 0 N--CA 1.502 2.136 0 O-C-N 121.71 -0.619 . . . . 0.0 109.76 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -69.1 132.11 23.67 Favored 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 120.968 1.112 . . . . 0.0 110.708 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.29 132.83 12.96 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.194 -0.942 . . . . 0.0 109.662 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -77.64 121.87 24.55 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.388 -0.82 . . . . 0.0 109.186 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 40.3 mt -84.95 134.58 34.24 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.179 -0.951 . . . . 0.0 109.219 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.7 t -134.76 116.01 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.615 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 21.5 mp0 -53.43 139.32 31.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.128 -0.982 . . . . 0.0 109.093 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.6 m -142.5 -179.05 6.06 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.203 -0.936 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.5 p -129.43 160.77 32.09 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.53 -0.731 . . . . 0.0 109.378 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.9 tp -55.13 -34.53 63.81 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.056 -1.028 . . . . 0.0 109.665 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 68.0 m -55.73 -45.59 77.93 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.92 -1.112 . . . . 0.0 109.4 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.38 -46.44 76.52 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.035 -1.041 . . . . 0.0 108.445 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.11 -37.94 81.51 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.06 -1.025 . . . . 0.0 108.918 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 -57.77 -34.68 69.83 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.155 -0.966 . . . . 0.0 109.249 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.24 -34.3 56.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 O-C-N 121.14 -0.975 . . . . 0.0 108.417 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -90.54 -48.48 7.06 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.309 -0.869 . . . . 0.0 111.001 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 131' ' ' ALA . 74.9 mt -114.82 42.95 2.05 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.38 -0.825 . . . . 0.0 110.389 -177.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.66 39.41 0.1 Allowed Glycine 0 N--CA 1.488 2.147 0 C-N-CA 119.932 -1.128 . . . . 0.0 110.405 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.68 -58.41 0.14 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.78 -1.423 . . . . 0.0 109.549 179.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.4 t -99.22 35.85 1.84 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.105 -0.997 . . . . 0.0 109.293 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.46 119.45 75.93 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 0.0 109.866 -179.338 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.87 -174.29 2.21 Favored 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.934 1.756 . . . . 0.0 111.514 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -106.79 119.67 39.95 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 94.1 mt -80.41 137.72 36.55 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.458 -0.776 . . . . 0.0 110.374 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 . . . . . 0 N--CA 1.497 1.875 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.327 179.75 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ATP . . . . . 0.725 ' O2G' ' N ' ' A' ' 100' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.948 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -151.66 -174.34 4.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.266 -0.896 . . . . 0.0 109.798 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.463 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 55.6 t -75.46 144.06 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 10.4 m-70 -149.03 143.88 26.37 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.092 -1.005 . . . . 0.0 109.968 -179.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -84.08 95.55 8.63 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.2 p -89.29 124.66 64.08 Favored Pre-proline 0 N--CA 1.497 1.891 0 O-C-N 121.196 -0.94 . . . . 0.0 109.268 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.649 ' HA ' HG22 ' A' ' 112' ' ' THR . 89.3 Cg_exo -47.4 139.71 16.6 Favored 'Trans proline' 0 N--CA 1.499 1.812 0 C-N-CA 121.964 1.776 . . . . 0.0 113.802 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.5 mt -67.09 -29.39 69.13 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.421 -0.8 . . . . 0.0 108.913 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t -68.05 -16.98 64.26 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.642 -0.661 . . . . 0.0 112.332 -177.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.6 m -112.19 24.95 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.272 0 O-C-N 120.695 -1.253 . . . . 0.0 110.96 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.9 mt -88.77 138.5 31.36 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.766 -1.209 . . . . 0.0 108.589 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.3 mt -108.48 115.48 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.534 -0.729 . . . . 0.0 109.859 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -132.49 95.75 20.03 Favored Pre-proline 0 N--CA 1.495 1.787 0 O-C-N 121.722 -0.611 . . . . 0.0 109.403 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -97.05 29.12 0.17 Allowed 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.944 2.429 . . . . 0.0 111.946 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tt -141.16 87.83 10.49 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.353 -0.842 . . . . 0.0 109.679 -178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -49.11 169.38 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 122.487 2.124 . . . . 0.0 112.164 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.7 m -158.21 165.35 35.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.166 -0.959 . . . . 0.0 109.88 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.9 t -96.17 110.24 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.5 mt -92.85 146.56 23.54 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 122.116 0.96 . . . . 0.0 110.924 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.1 t70 -103.11 133.42 20.35 Favored Pre-proline 0 C--N 1.299 -1.601 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 178.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.447 ' O ' ' OE1' ' A' ' 63' ' ' GLN . 94.9 Cg_endo -74.98 -19.64 17.69 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 121.937 1.758 . . . . 0.0 112.697 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.523 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.74 -35.45 20.78 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.991 -1.068 . . . . 0.0 109.155 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.431 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 27.9 tttt -73.28 -29.88 63.03 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.499 -0.751 . . . . 0.0 110.195 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.6 t -73.11 -34.92 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.627 ' N ' ' OE1' ' A' ' 63' ' ' GLN . 1.3 mp0 -62.74 -40.24 96.62 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.4 t -62.74 -40.81 98.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.284 -0.885 . . . . 0.0 109.363 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.6 mt -72.9 -45.36 58.63 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.227 -0.92 . . . . 0.0 108.866 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.0 t -55.78 -29.81 26.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.324 -0.86 . . . . 0.0 108.7 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -75.87 -36.67 59.47 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.468 -0.77 . . . . 0.0 110.022 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.5 m -65.31 -50.75 64.51 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.114 -0.991 . . . . 0.0 109.579 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.2 mt -60.17 -38.9 78.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.361 -0.837 . . . . 0.0 109.449 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -77.15 -29.79 54.76 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.255 -0.903 . . . . 0.0 110.471 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -91.82 -37.62 12.83 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.744 -1.222 . . . . 0.0 109.953 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -155.67 97.64 2.32 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.098 -1.001 . . . . 0.0 109.597 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.52 -3.31 13.71 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 121.617 1.545 . . . . 0.0 112.98 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -89.65 -28.84 19.22 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.936 -1.102 . . . . 0.0 110.809 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.4 m -83.6 23.38 0.96 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.767 -1.208 . . . . 0.0 109.59 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 t -120.68 103.4 43.63 Favored Pre-proline 0 N--CA 1.5 2.026 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.539 ' O ' ' NH1' ' A' ' 101' ' ' ARG . 38.2 Cg_endo -74.86 162.76 36.85 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.665 1.577 . . . . 0.0 112.695 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.43 170.43 19.95 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.768 2.312 . . . . 0.0 112.165 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.1 pt -108.08 163.94 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -84.56 132.66 34.49 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.099 -1.0 . . . . 0.0 108.77 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.9 t -136.4 137.92 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.2 mt -88.47 133.29 34.17 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.463 -0.773 . . . . 0.0 110.069 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -108.32 107.73 18.44 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.418 HG21 HD13 ' A' ' 84' ' ' ILE . 27.6 mt -126.56 145.63 33.77 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 121.398 -0.814 . . . . 0.0 109.785 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.531 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 37.3 mttp -108.7 156.6 19.39 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 121.548 0.689 . . . . 0.0 109.594 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.36 -168.12 37.13 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.49 -6.5 36.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.549 -0.971 . . . . 0.0 110.776 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -130.0 39.09 3.73 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.062 -1.024 . . . . 0.0 110.799 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.85 -12.91 0.97 Allowed Glycine 0 N--CA 1.493 2.476 0 O-C-N 121.102 -0.999 . . . . 0.0 111.658 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.526 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -50.35 108.39 0.5 Allowed Glycine 0 N--CA 1.487 2.037 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.531 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 12.6 m-20 -76.53 136.4 39.3 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.452 -1.028 . . . . 0.0 109.176 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.526 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 98.7 m-85 -131.82 130.65 42.03 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -104.28 120.53 41.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.318 -0.864 . . . . 0.0 110.185 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -107.14 137.62 44.87 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.49 132.98 49.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.696 -0.628 . . . . 0.0 109.397 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -134.49 90.67 2.69 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 135.27 -163.94 24.85 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.39 24.28 0.98 Allowed Glycine 0 N--CA 1.495 2.612 0 O-C-N 121.097 -1.237 . . . . 0.0 110.36 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.4 m -53.43 -56.18 18.98 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.92 -1.341 . . . . 0.0 109.796 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -61.71 -33.95 74.93 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.116 -0.99 . . . . 0.0 109.749 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.539 ' NH1' ' O ' ' A' ' 77' ' ' PRO . 1.6 tpp85 -63.92 -31.37 72.52 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.982 -1.074 . . . . 0.0 109.228 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -68.7 -42.65 77.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.244 -0.91 . . . . 0.0 109.064 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.6 -44.47 89.89 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.282 -0.886 . . . . 0.0 110.113 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.78 -45.81 92.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.022 -1.049 . . . . 0.0 109.518 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -68.48 -42.89 78.05 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.29 -0.881 . . . . 0.0 109.146 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -35.45 80.45 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.337 -0.852 . . . . 0.0 110.024 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -70.31 -36.84 74.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.215 -0.928 . . . . 0.0 109.615 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 91.3 mt -74.04 11.06 0.98 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.276 -0.89 . . . . 0.0 109.813 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 45.43 43.15 8.41 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.273 -0.892 . . . . 0.0 110.154 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 70.2 mmt-85 -81.59 160.9 23.71 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.16 -0.963 . . . . 0.0 109.084 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.635 ' HG2' HG23 ' A' ' 112' ' ' THR . 12.6 tt0 -84.29 -42.59 15.67 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.508 -0.745 . . . . 0.0 110.567 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.649 HG22 ' HA ' ' A' ' 45' ' ' PRO . 22.8 p -133.75 177.02 8.04 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.843 -1.161 . . . . 0.0 110.578 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.8 tt -139.05 140.64 27.32 Favored Pre-proline 0 N--CA 1.504 2.241 0 O-C-N 121.615 -0.678 . . . . 0.0 110.027 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -67.91 131.29 23.63 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 120.893 1.062 . . . . 0.0 110.519 177.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.12 129.38 11.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.098 -1.001 . . . . 0.0 109.897 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 29.0 tttp -72.68 123.94 24.3 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.514 -0.741 . . . . 0.0 109.17 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 53.2 mt -87.86 136.46 32.95 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.071 -1.018 . . . . 0.0 109.285 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 95.8 t -132.98 107.3 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.569 -0.707 . . . . 0.0 109.149 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.556 ' NE2' ' N ' ' A' ' 120' ' ' SER . 0.0 OUTLIER -50.3 132.45 24.35 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.249 -0.907 . . . . 0.0 108.896 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.556 ' N ' ' NE2' ' A' ' 119' ' ' GLN . 5.2 m -138.83 -178.79 5.48 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.312 -0.867 . . . . 0.0 109.432 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.1 p -127.45 160.46 31.39 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.571 -0.706 . . . . 0.0 109.438 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.8 tp -54.59 -27.61 40.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.096 -1.002 . . . . 0.0 109.601 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.4 t -59.82 -47.14 86.93 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.905 -1.122 . . . . 0.0 109.258 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -55.86 -37.2 68.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.023 -1.048 . . . . 0.0 108.563 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 125' ' ' LEU . 5.3 tp -67.73 -32.21 72.68 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.964 -1.085 . . . . 0.0 109.476 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -64.01 -35.21 79.97 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.775 -1.203 . . . . 0.0 108.615 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 67.1 t -58.88 -35.96 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.1 -1.0 . . . . 0.0 108.688 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -90.02 -47.5 7.8 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.207 -0.933 . . . . 0.0 110.719 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' A' ' 131' ' ' ALA . 66.8 mt -117.97 45.77 1.9 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.473 -0.767 . . . . 0.0 110.278 -178.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.34 37.87 0.12 Allowed Glycine 0 N--CA 1.489 2.212 0 C-N-CA 119.799 -1.191 . . . . 0.0 110.247 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.86 -53.77 0.09 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.904 -1.35 . . . . 0.0 109.333 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.7 t -99.12 36.17 1.77 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.184 -0.947 . . . . 0.0 109.361 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.31 121.73 84.21 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.283 -0.885 . . . . 0.0 109.378 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -78.78 -173.98 2.09 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.055 1.837 . . . . 0.0 111.899 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.56 ' C ' HE21 ' A' ' 137' ' ' GLN . 38.2 t0 -109.89 95.54 5.67 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.51 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.3 mt -62.33 142.61 57.69 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.673 0.749 . . . . 0.0 110.858 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.56 HE21 ' C ' ' A' ' 135' ' ' ASP . 71.1 mm-40 . . . . . 0 N--CA 1.497 1.895 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.204 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.979 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.19 -174.38 4.43 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.279 -0.888 . . . . 0.0 109.635 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.514 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 91.2 t -75.12 144.01 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.449 -0.782 . . . . 0.0 109.108 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 14.2 m-70 -152.14 146.94 25.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.323 -0.861 . . . . 0.0 109.735 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -84.47 96.14 9.02 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.2 p -89.87 125.06 62.06 Favored Pre-proline 0 N--CA 1.498 1.954 0 O-C-N 121.15 -0.969 . . . . 0.0 109.102 -179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.647 ' HA ' HG22 ' A' ' 112' ' ' THR . 88.7 Cg_exo -47.24 141.2 13.76 Favored 'Trans proline' 0 N--CA 1.499 1.822 0 C-N-CA 121.909 1.739 . . . . 0.0 113.792 -179.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.8 mt -67.88 -31.27 70.96 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.475 -0.766 . . . . 0.0 109.119 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.0 t -67.72 -16.73 64.28 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.583 -0.698 . . . . 0.0 112.519 -177.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.5 m -111.44 24.5 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.285 0 O-C-N 120.656 -1.278 . . . . 0.0 110.993 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.53 126.06 37.44 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.74 -1.225 . . . . 0.0 109.041 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.7 mt -94.98 118.62 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.391 -0.818 . . . . 0.0 110.122 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.3 mtp-105 -135.11 95.22 15.22 Favored Pre-proline 0 N--CA 1.496 1.867 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -95.84 25.96 0.28 Allowed 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 122.841 2.361 . . . . 0.0 112.589 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tt -130.95 101.85 16.42 Favored Pre-proline 0 N--CA 1.502 2.163 0 O-C-N 121.303 -0.873 . . . . 0.0 109.894 -178.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -48.02 169.52 0.07 OUTLIER 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.942 1.761 . . . . 0.0 112.053 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.8 m -159.96 162.68 34.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.107 -0.996 . . . . 0.0 109.945 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -107.35 110.56 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 75.2 mt -92.43 146.56 23.59 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.191 -0.943 . . . . 0.0 110.773 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -108.42 139.88 21.21 Favored Pre-proline 0 N--CA 1.49 1.552 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -75.96 -19.04 16.26 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 122.085 1.857 . . . . 0.0 113.015 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.66 -42.62 17.91 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.944 -1.097 . . . . 0.0 110.265 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.21 -31.84 66.22 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.05 -1.032 . . . . 0.0 109.939 -179.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 64.8 t -68.06 -35.57 72.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.824 -1.173 . . . . 0.0 109.03 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -66.31 -40.55 90.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.229 -0.919 . . . . 0.0 108.631 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.2 t -60.04 -39.63 86.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.29 -0.881 . . . . 0.0 109.235 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mt -74.67 -50.12 18.85 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.283 -0.886 . . . . 0.0 108.847 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.3 t -55.5 -30.88 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 O-C-N 121.194 -0.941 . . . . 0.0 108.675 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -76.52 -38.82 54.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.401 -0.812 . . . . 0.0 109.605 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.6 m -64.58 -51.67 61.57 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.416 -0.803 . . . . 0.0 109.379 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.5 mt -57.76 -40.9 78.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 121.406 -0.808 . . . . 0.0 109.196 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -76.97 -31.31 56.46 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.231 -0.918 . . . . 0.0 110.434 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -89.24 -35.46 16.17 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.838 -1.164 . . . . 0.0 110.128 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.432 ' OD1' ' OD2' ' A' ' 74' ' ' ASP . 37.4 t0 -156.61 97.32 2.16 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.221 -0.924 . . . . 0.0 109.317 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.91 -6.65 18.9 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 121.471 1.447 . . . . 0.0 113.06 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 75' ' ' SER . 1.5 p30 -88.13 -40.0 14.11 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.934 -1.104 . . . . 0.0 110.177 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.523 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 24.0 m -71.85 22.53 0.05 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.979 -1.076 . . . . 0.0 109.923 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.484 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.6 t -118.62 106.68 43.86 Favored Pre-proline 0 N--CA 1.499 1.998 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -76.27 162.07 34.28 Favored 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 121.616 1.544 . . . . 0.0 112.889 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -76.89 172.71 15.7 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.83 2.353 . . . . 0.0 112.193 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.459 HG22 HH21 ' A' ' 101' ' ' ARG . 4.4 pt -111.54 165.27 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -88.42 135.87 33.26 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.277 -0.89 . . . . 0.0 108.712 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.4 t -138.5 137.36 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.372 -0.83 . . . . 0.0 109.308 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.3 mt -87.23 131.59 34.17 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.418 -0.801 . . . . 0.0 109.444 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.521 ' O ' ' NE2' ' A' ' 119' ' ' GLN . 11.5 t90 -111.69 110.04 20.22 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 27.3 mt -128.06 148.4 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 O-C-N 121.416 -0.803 . . . . 0.0 110.193 -178.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.514 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 27.3 mttp -107.63 158.36 17.31 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 121.742 0.782 . . . . 0.0 110.102 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.42 -167.92 32.69 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.71 -6.59 38.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.641 -0.917 . . . . 0.0 110.786 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -129.89 33.81 4.36 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.998 -1.064 . . . . 0.0 110.81 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.431 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 73.98 -13.84 4.11 Favored Glycine 0 N--CA 1.496 2.658 0 O-C-N 121.069 -1.019 . . . . 0.0 111.265 178.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.07 107.84 0.29 Allowed Glycine 0 N--CA 1.487 2.084 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.514 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 6.5 m-20 -75.84 133.07 40.71 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.521 -0.987 . . . . 0.0 109.444 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.6 m-85 -129.73 130.24 45.19 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -103.54 117.73 35.11 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.243 -0.911 . . . . 0.0 110.096 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -105.81 132.2 52.22 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.9 t -123.78 134.22 53.68 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.517 -0.739 . . . . 0.0 109.604 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -133.52 88.39 2.48 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 141.54 -165.02 26.54 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 44.88 22.89 0.5 Allowed Glycine 0 N--CA 1.495 2.605 0 O-C-N 121.169 -1.195 . . . . 0.0 110.49 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 97' ' ' GLY . 11.0 m -50.66 -49.85 56.1 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.865 -1.374 . . . . 0.0 109.653 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -66.93 -43.95 81.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.18 -0.95 . . . . 0.0 109.838 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.459 HH21 HG22 ' A' ' 79' ' ' ILE . 7.2 ttp180 -57.24 -28.06 62.59 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.971 -1.081 . . . . 0.0 109.261 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -71.26 -43.63 66.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.046 -1.034 . . . . 0.0 108.715 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.75 -39.89 90.4 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.271 -0.893 . . . . 0.0 109.736 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.46 -49.24 72.22 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.116 -0.99 . . . . 0.0 109.364 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -64.61 -43.7 92.92 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.203 -0.935 . . . . 0.0 108.538 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -61.97 -45.79 92.09 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.36 -0.837 . . . . 0.0 109.434 -179.802 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.416 ' C ' ' H ' ' A' ' 109' ' ' GLN . 33.7 tt0 -58.56 -40.27 82.6 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.413 -0.805 . . . . 0.0 110.071 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.4 mt -73.03 11.78 0.64 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.092 -1.005 . . . . 0.0 109.77 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' A' ' 107' ' ' GLN . 6.2 tt0 44.92 46.25 8.93 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.36 -0.838 . . . . 0.0 110.157 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 -85.85 160.65 19.38 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.065 -1.022 . . . . 0.0 108.852 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -82.89 -41.66 18.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.388 -0.82 . . . . 0.0 110.774 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.647 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.0 p -134.01 177.33 7.82 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.953 -1.092 . . . . 0.0 110.939 -178.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.4 tt -139.65 140.95 26.48 Favored Pre-proline 0 N--CA 1.502 2.155 0 O-C-N 121.667 -0.646 . . . . 0.0 110.143 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -67.05 131.07 24.32 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 120.817 1.011 . . . . 0.0 110.66 177.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.24 134.15 13.94 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.151 -0.968 . . . . 0.0 109.495 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.72 119.61 21.48 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.307 -0.871 . . . . 0.0 108.991 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 51.9 mt -78.83 138.47 38.18 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.195 -0.941 . . . . 0.0 109.174 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 52.9 t -133.78 102.07 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.537 HE21 ' N ' ' A' ' 120' ' ' SER . 15.9 tp60 -58.28 123.63 16.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.219 -0.925 . . . . 0.0 108.973 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.537 ' N ' HE21 ' A' ' 119' ' ' GLN . 6.5 m -130.65 -178.97 5.02 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.473 -0.767 . . . . 0.0 109.685 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.7 p -118.11 160.63 21.2 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-O 121.487 0.66 . . . . 0.0 109.418 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 32.0 tp -54.82 -34.35 62.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.143 -0.973 . . . . 0.0 109.853 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 72.2 m -54.49 -47.63 72.79 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.959 -1.088 . . . . 0.0 109.534 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -55.21 -43.21 74.26 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.09 -1.006 . . . . 0.0 109.034 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.7 -38.8 82.61 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.898 -1.126 . . . . 0.0 108.796 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -56.65 -35.75 68.74 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.251 -0.905 . . . . 0.0 109.288 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 99.8 t -59.42 -33.34 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.078 -1.014 . . . . 0.0 108.394 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -90.3 -48.87 6.87 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.364 -0.835 . . . . 0.0 110.771 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 131' ' ' ALA . 69.5 mt -116.78 45.1 1.9 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.517 -0.74 . . . . 0.0 110.193 -178.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.52 38.24 0.1 OUTLIER Glycine 0 N--CA 1.49 2.239 0 N-CA-C 110.359 -1.096 . . . . 0.0 110.359 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -155.37 -53.76 0.09 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.818 -1.401 . . . . 0.0 109.388 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.0 t -100.28 36.81 1.79 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.208 -0.933 . . . . 0.0 109.229 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.82 118.84 74.68 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.273 -0.892 . . . . 0.0 109.759 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -80.19 -174.84 2.42 Favored 'Trans proline' 0 N--CA 1.491 1.345 0 C-N-CA 121.84 1.693 . . . . 0.0 111.279 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.469 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 47.0 t0 -105.55 127.75 53.21 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.741 0.781 . . . . 0.0 109.016 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.533 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 97.5 mt -92.41 139.88 30.14 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.469 0.652 . . . . 0.0 110.17 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.533 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 61.9 mm-40 . . . . . 0 N--CA 1.497 1.914 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.371 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.342 0.592 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.04 -174.43 4.43 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.301 -0.874 . . . . 0.0 109.562 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.508 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 89.7 t -74.97 143.89 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.451 -0.781 . . . . 0.0 109.001 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 13.3 m-70 -152.01 145.05 24.53 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.275 -0.891 . . . . 0.0 109.837 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -84.66 94.09 8.56 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.0 p -86.77 125.21 67.66 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 121.154 -0.966 . . . . 0.0 109.298 -179.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.627 ' HA ' HG22 ' A' ' 112' ' ' THR . 71.6 Cg_exo -48.07 140.27 19.43 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 121.684 1.589 . . . . 0.0 113.314 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.25 -31.47 72.31 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.784 0.802 . . . . 0.0 109.502 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.4 p -63.88 -27.66 69.31 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.803 -0.56 . . . . 0.0 112.48 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.9 m -101.46 26.24 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.269 0 O-C-N 120.751 -1.218 . . . . 0.0 111.475 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 49' ' ' LEU . 73.3 mt -90.84 139.29 30.88 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.652 -1.28 . . . . 0.0 108.758 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.2 mt -106.95 116.74 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.56 -0.712 . . . . 0.0 109.902 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -133.33 95.24 18.48 Favored Pre-proline 0 N--CA 1.495 1.814 0 O-C-N 121.687 -0.633 . . . . 0.0 109.858 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -98.2 28.95 0.15 Allowed 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.987 2.458 . . . . 0.0 111.542 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.7 tt -141.9 88.23 9.52 Favored Pre-proline 0 N--CA 1.495 1.789 0 O-C-N 121.27 -0.894 . . . . 0.0 109.894 -178.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -48.01 169.19 0.08 OUTLIER 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.298 1.999 . . . . 0.0 111.917 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.6 m -158.19 164.67 36.32 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.071 -1.018 . . . . 0.0 110.081 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 56' ' ' VAL . 2.7 p -96.86 118.17 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 179.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.2 mt -100.52 146.58 26.92 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 122.04 0.924 . . . . 0.0 110.857 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.1 t70 -101.92 131.88 22.26 Favored Pre-proline 0 C--N 1.3 -1.573 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 178.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -74.75 -19.51 18.42 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 121.858 1.706 . . . . 0.0 112.576 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.525 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.39 -34.88 21.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.027 -1.046 . . . . 0.0 109.225 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.421 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 8.4 ttpt -74.12 -31.39 62.75 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.327 -0.858 . . . . 0.0 109.761 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.1 t -72.4 -35.89 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 120.988 -1.07 . . . . 0.0 109.063 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -64.48 -40.74 96.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.218 -0.926 . . . . 0.0 108.877 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 6.9 t -62.28 -37.68 86.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.236 -0.915 . . . . 0.0 109.364 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.6 mt -75.79 -44.76 39.76 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.287 -0.883 . . . . 0.0 109.046 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 37.5 t -55.49 -33.08 31.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -76.44 -37.56 56.79 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.383 -0.823 . . . . 0.0 110.111 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.6 m -65.21 -51.54 60.3 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.06 -1.025 . . . . 0.0 109.519 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.9 mt -56.18 -41.62 70.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.215 -0.928 . . . . 0.0 108.672 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.505 ' NE ' ' CD2' ' A' ' 108' ' ' LEU . 68.3 mtt180 -77.43 -27.29 52.2 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.345 -0.847 . . . . 0.0 110.475 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -90.09 -36.24 14.99 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.763 -1.21 . . . . 0.0 109.645 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -157.55 101.25 1.85 Allowed Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.231 -0.918 . . . . 0.0 109.282 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.48 -17.05 34.55 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 121.354 1.369 . . . . 0.0 113.07 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' A' ' 76' ' ' VAL . 43.1 m-20 -84.25 -28.24 27.35 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.855 -1.153 . . . . 0.0 110.286 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.6 m -74.65 17.39 0.21 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.898 -1.126 . . . . 0.0 109.412 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.462 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.2 t -131.2 104.39 15.06 Favored Pre-proline 0 N--CA 1.498 1.934 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -74.14 162.35 38.96 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 121.655 1.57 . . . . 0.0 112.931 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.21 169.45 20.66 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.79 2.327 . . . . 0.0 111.955 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.426 HG22 ' NH2' ' A' ' 101' ' ' ARG . 8.3 pt -106.7 165.08 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.61 -0.681 . . . . 0.0 109.754 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 80' ' ' ASP . 1.3 p-10 -88.27 132.93 34.19 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.7 t -136.47 135.21 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.28 -0.888 . . . . 0.0 109.668 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.9 mt -85.17 135.58 33.9 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.642 0.734 . . . . 0.0 109.153 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 8.4 t90 -115.7 115.97 27.27 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.4 mt -133.09 143.98 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 121.023 -1.048 . . . . 0.0 110.343 -178.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.502 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 0.6 OUTLIER -103.22 156.9 17.38 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.532 0.682 . . . . 0.0 109.606 -179.089 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.26 -167.81 31.54 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.866 -1.293 . . . . 0.0 109.866 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.63 -6.08 38.31 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.585 -0.95 . . . . 0.0 110.729 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -130.48 38.91 3.69 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.998 -1.064 . . . . 0.0 110.896 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.63 -13.13 1.27 Allowed Glycine 0 N--CA 1.493 2.447 0 O-C-N 121.173 -0.954 . . . . 0.0 111.746 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.518 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -51.62 109.14 0.74 Allowed Glycine 0 N--CA 1.486 2.009 0 O-C-N 120.764 -1.433 . . . . 0.0 109.632 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.502 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 5.3 m-20 -78.07 134.45 37.74 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.421 -1.046 . . . . 0.0 108.968 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.518 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.1 m-85 -128.44 126.01 39.69 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -100.77 121.35 41.52 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.211 -0.931 . . . . 0.0 109.992 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -108.81 132.55 53.88 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.718 -0.614 . . . . 0.0 109.694 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.3 130.26 52.49 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.586 -0.696 . . . . 0.0 109.307 178.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -131.08 90.01 2.82 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.13 -1.434 . . . . 0.0 107.13 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 135.97 -162.54 25.01 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 108.449 -1.86 . . . . 0.0 108.449 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.35 16.41 0.1 OUTLIER Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 97' ' ' GLY . 6.8 m -49.69 -48.98 49.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.164 -1.198 . . . . 0.0 109.977 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -67.04 -43.72 82.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.032 -1.042 . . . . 0.0 109.644 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.426 ' NH2' HG22 ' A' ' 79' ' ' ILE . 27.9 mtm180 -60.05 -29.31 68.45 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.924 -1.11 . . . . 0.0 109.056 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -68.92 -42.09 77.25 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.98 90.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.296 -0.878 . . . . 0.0 109.528 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.3 93.6 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.168 -0.957 . . . . 0.0 109.449 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -67.5 -44.26 78.89 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.242 -0.912 . . . . 0.0 108.759 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -60.09 -50.95 71.67 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.347 -0.846 . . . . 0.0 109.509 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.467 ' C ' ' H ' ' A' ' 109' ' ' GLN . 15.1 tm0? -56.6 -42.89 79.53 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.371 -0.831 . . . . 0.0 110.143 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.505 ' CD2' ' NE ' ' A' ' 70' ' ' ARG . 86.9 mt -67.61 7.77 0.44 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.102 -0.999 . . . . 0.0 109.621 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.467 ' H ' ' C ' ' A' ' 107' ' ' GLN . 6.1 tt0 45.45 42.51 7.79 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.332 -0.855 . . . . 0.0 110.109 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 27.0 mmt-85 -80.66 159.96 25.17 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.051 -1.031 . . . . 0.0 108.779 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -81.17 -41.49 22.3 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.447 -0.783 . . . . 0.0 110.624 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.627 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.4 p -133.44 177.86 7.36 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 120.973 -1.079 . . . . 0.0 110.975 -178.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.6 tt -138.93 141.1 29.12 Favored Pre-proline 0 N--CA 1.502 2.15 0 O-C-N 121.709 -0.619 . . . . 0.0 109.921 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.12 131.69 25.9 Favored 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 120.926 1.084 . . . . 0.0 110.89 177.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.92 134.56 13.62 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.113 -0.992 . . . . 0.0 109.728 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.2 115.41 18.85 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.402 -0.811 . . . . 0.0 109.283 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 52.8 mt -79.66 134.35 36.42 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.018 -1.051 . . . . 0.0 109.53 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 44.0 t -138.15 101.64 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.759 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 0.1 OUTLIER -53.07 133.63 38.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.151 -0.968 . . . . 0.0 109.603 -179.4 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -134.64 -177.77 4.76 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.0 p -116.45 159.0 22.66 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-O 121.718 0.77 . . . . 0.0 109.826 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 30.2 tp -55.28 -28.91 56.66 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.242 -0.911 . . . . 0.0 109.69 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 73.6 m -58.39 -48.05 81.89 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.959 -1.088 . . . . 0.0 109.319 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.16 -38.43 68.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.142 -0.974 . . . . 0.0 108.587 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 125' ' ' LEU . 6.0 tp -66.06 -31.83 72.94 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.9 -1.125 . . . . 0.0 109.095 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -62.32 -35.58 79.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.922 -1.111 . . . . 0.0 108.965 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.78 -34.86 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 O-C-N 121.191 -0.943 . . . . 0.0 108.599 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -90.16 -47.84 7.55 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.274 -0.891 . . . . 0.0 110.949 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 131' ' ' ALA . 65.9 mt -117.29 43.99 2.21 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.505 -0.747 . . . . 0.0 110.481 -177.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.91 37.9 0.1 Allowed Glycine 0 N--CA 1.488 2.109 0 C-N-CA 119.896 -1.145 . . . . 0.0 110.346 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.62 -54.83 0.11 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.882 -1.364 . . . . 0.0 109.306 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.4 p -99.86 35.26 2.07 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.254 -0.904 . . . . 0.0 109.223 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.62 121.39 85.14 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.316 -0.865 . . . . 0.0 109.455 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -79.59 -173.95 2.07 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.093 1.862 . . . . 0.0 111.786 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.561 ' C ' HE21 ' A' ' 137' ' ' GLN . 41.6 t0 -110.29 95.75 5.78 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.504 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.9 mt -61.7 141.43 57.85 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 121.704 0.764 . . . . 0.0 110.799 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.561 HE21 ' C ' ' A' ' 135' ' ' ASP . 71.2 mm-40 . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.136 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -151.94 -174.92 5.02 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.254 -0.904 . . . . 0.0 109.793 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.52 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 89.1 t -75.66 144.6 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.495 -0.753 . . . . 0.0 109.083 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.52 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 15.0 m-70 -152.5 143.02 22.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.343 -0.848 . . . . 0.0 109.583 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -80.21 93.72 5.92 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.5 p -86.18 123.82 71.12 Favored Pre-proline 0 N--CA 1.496 1.83 0 O-C-N 121.219 -0.926 . . . . 0.0 109.283 -179.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.642 ' HA ' HG22 ' A' ' 112' ' ' THR . 86.4 Cg_exo -47.18 141.72 12.78 Favored 'Trans proline' 0 N--CA 1.498 1.784 0 C-N-CA 121.859 1.706 . . . . 0.0 113.624 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 mt -68.54 -29.34 67.89 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.495 -0.753 . . . . 0.0 109.24 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 t -72.18 -12.81 61.35 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.475 -0.765 . . . . 0.0 112.707 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.0 m -112.79 25.59 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.282 0 O-C-N 120.625 -1.297 . . . . 0.0 110.752 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.2 mt -95.63 133.31 39.83 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.831 -1.168 . . . . 0.0 109.085 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 97.0 mt -99.0 116.62 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.388 -0.82 . . . . 0.0 109.503 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -132.57 96.13 19.23 Favored Pre-proline 0 N--CA 1.498 1.93 0 O-C-N 121.583 -0.698 . . . . 0.0 109.536 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.679 ' O ' HD12 ' A' ' 53' ' ' LEU . 20.4 Cg_endo -96.93 26.82 0.22 Allowed 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 123.137 2.558 . . . . 0.0 112.347 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.679 HD12 ' O ' ' A' ' 52' ' ' PRO . 1.4 mp -138.95 114.02 8.43 Favored Pre-proline 0 N--CA 1.499 1.975 0 O-C-N 121.285 -0.884 . . . . 0.0 108.979 -178.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.93 165.11 28.94 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 121.795 1.663 . . . . 0.0 111.712 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.6 m -149.23 165.5 31.71 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.061 -1.024 . . . . 0.0 109.904 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -95.9 109.82 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.0 mt -89.26 146.59 24.63 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 122.227 1.013 . . . . 0.0 110.965 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.6 t70 -104.86 133.93 19.9 Favored Pre-proline 0 C--N 1.3 -1.587 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.55 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 68.7 Cg_endo -73.64 -23.63 16.75 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.775 1.65 . . . . 0.0 112.713 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.488 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -81.63 -34.27 30.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.855 -1.153 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -75.63 -30.49 59.52 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.464 -0.772 . . . . 0.0 110.049 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.8 t -73.14 -51.45 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 120.818 -1.176 . . . . 0.0 108.33 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -50.28 -40.28 47.82 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.44 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.6 t -61.54 -41.01 96.71 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.256 -0.903 . . . . 0.0 109.445 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.2 mt -74.17 -46.16 43.99 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.303 -0.873 . . . . 0.0 108.892 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.0 t -55.72 -34.13 35.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.207 -0.933 . . . . 0.0 108.601 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -76.25 -33.71 59.17 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.421 -0.799 . . . . 0.0 109.532 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.8 m -67.33 -51.42 52.65 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.192 -0.943 . . . . 0.0 109.43 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.2 mt -58.56 -40.79 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.38 -0.825 . . . . 0.0 109.267 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -76.93 -32.84 57.64 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.203 -0.935 . . . . 0.0 110.298 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -88.96 -33.94 17.05 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.835 -1.165 . . . . 0.0 110.323 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.429 ' OD2' ' OD2' ' A' ' 74' ' ' ASP . 22.5 t70 -158.4 97.39 1.8 Allowed Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.158 -0.964 . . . . 0.0 109.509 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.04 -1.57 11.58 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 121.693 1.595 . . . . 0.0 112.951 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 76' ' ' VAL . 1.5 p-10 -88.94 -41.71 12.24 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.944 -1.098 . . . . 0.0 110.054 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.5 t -71.96 24.45 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.067 -1.021 . . . . 0.0 109.86 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.483 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.4 t -126.97 102.82 24.2 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 121.254 -0.904 . . . . 0.0 108.692 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -77.5 162.2 30.73 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.767 1.644 . . . . 0.0 112.934 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.72 170.97 19.08 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 122.782 2.322 . . . . 0.0 112.144 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.428 HG22 HH21 ' A' ' 101' ' ' ARG . 7.3 pt -107.18 167.4 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.663 -0.648 . . . . 0.0 109.47 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 81' ' ' VAL . 13.6 t0 -91.63 137.84 32.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.204 -0.935 . . . . 0.0 108.553 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.44 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 16.1 t -138.69 137.86 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.531 -0.73 . . . . 0.0 109.219 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.2 mt -86.83 127.35 35.02 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.467 -0.771 . . . . 0.0 109.884 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -106.32 111.41 23.98 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.2 mt -126.47 145.01 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.38 -0.825 . . . . 0.0 110.087 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.585 ' HZ3' ' CG ' ' A' ' 91' ' ' ASP . 2.2 tttp -104.01 156.21 18.04 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.486 0.66 . . . . 0.0 110.292 -178.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.18 -174.68 37.58 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.45 -6.25 18.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.681 -0.893 . . . . 0.0 110.893 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -130.25 37.93 3.83 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.057 -1.027 . . . . 0.0 110.772 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.21 -13.23 2.04 Favored Glycine 0 N--CA 1.492 2.404 0 O-C-N 121.079 -1.013 . . . . 0.0 111.58 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.421 ' O ' ' CE1' ' A' ' 92' ' ' TYR . . . -50.94 111.1 1.14 Allowed Glycine 0 N--CA 1.486 1.999 0 O-C-N 120.785 -1.421 . . . . 0.0 109.598 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.585 ' CG ' ' HZ3' ' A' ' 85' ' ' LYS . 14.2 m-20 -79.76 133.0 36.3 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.539 -0.977 . . . . 0.0 109.963 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.421 ' CE1' ' O ' ' A' ' 90' ' ' GLY . 94.8 m-85 -126.05 149.29 48.97 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -122.66 119.14 29.86 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.283 -0.886 . . . . 0.0 110.263 -178.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -108.41 131.92 54.29 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.0 t -125.82 134.74 51.57 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -133.82 88.4 2.47 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 141.96 -161.64 27.14 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.05 24.99 0.9 Allowed Glycine 0 N--CA 1.494 2.551 0 O-C-N 121.247 -1.149 . . . . 0.0 110.357 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 4.9 m -52.2 -51.23 59.4 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.904 -1.351 . . . . 0.0 109.73 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -67.83 -49.26 63.2 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.261 -0.9 . . . . 0.0 109.727 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.428 HH21 HG22 ' A' ' 79' ' ' ILE . 8.6 ttp180 -53.74 -29.81 41.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.028 -1.045 . . . . 0.0 109.208 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -70.75 -42.83 69.94 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.129 -0.982 . . . . 0.0 108.795 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.34 -48.31 82.13 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.265 -0.897 . . . . 0.0 109.88 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.11 -44.47 74.99 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.042 -1.036 . . . . 0.0 109.322 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -69.36 -41.4 76.62 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.306 -0.872 . . . . 0.0 108.992 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -64.42 -34.73 78.85 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.215 -0.928 . . . . 0.0 110.038 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.486 ' C ' ' H ' ' A' ' 109' ' ' GLN . 55.3 tt0 -73.0 -41.93 63.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.2 -0.938 . . . . 0.0 109.836 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.83 9.31 0.19 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.304 -0.873 . . . . 0.0 109.896 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.486 ' H ' ' C ' ' A' ' 107' ' ' GLN . 19.0 tp60 46.57 43.17 12.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.225 -0.922 . . . . 0.0 109.898 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -82.52 159.17 22.89 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.169 -0.957 . . . . 0.0 108.977 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.417 ' CD ' ' N ' ' A' ' 111' ' ' GLU . 16.4 mp0 -82.51 -40.65 20.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.406 -0.809 . . . . 0.0 110.839 -179.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.642 HG22 ' HA ' ' A' ' 45' ' ' PRO . 36.4 p -133.86 177.88 7.38 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.981 -1.074 . . . . 0.0 110.757 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.21 141.11 28.37 Favored Pre-proline 0 N--CA 1.503 2.199 0 O-C-N 121.688 -0.633 . . . . 0.0 110.013 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.38 130.27 23.44 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 120.919 1.079 . . . . 0.0 110.917 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.52 133.32 14.01 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.137 -0.977 . . . . 0.0 109.626 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -78.98 111.74 15.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.361 -0.837 . . . . 0.0 108.854 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 65.9 mt -71.82 138.56 48.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.931 -1.106 . . . . 0.0 109.16 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.0 t -133.88 101.94 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.547 HE21 ' N ' ' A' ' 120' ' ' SER . 1.6 tm0? -55.43 126.58 25.74 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.205 -0.935 . . . . 0.0 109.068 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.547 ' N ' HE21 ' A' ' 119' ' ' GLN . 6.0 m -134.28 -179.41 5.55 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.398 -0.814 . . . . 0.0 109.646 -179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.7 p -119.07 160.26 22.38 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 121.568 0.699 . . . . 0.0 109.498 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.2 tp -55.5 -26.09 40.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.175 -0.953 . . . . 0.0 109.941 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.8 t -61.27 -49.47 76.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.888 -1.132 . . . . 0.0 109.683 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -55.05 -41.07 70.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.088 -1.007 . . . . 0.0 109.018 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.9 tp -59.55 -39.55 84.4 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 120.907 -1.121 . . . . 0.0 108.928 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.3 ttm105 -56.31 -36.93 69.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.167 -0.958 . . . . 0.0 109.249 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 97.4 t -58.63 -33.13 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 121.175 -0.953 . . . . 0.0 108.506 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -90.6 -48.65 6.95 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.262 -0.899 . . . . 0.0 110.828 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' A' ' 131' ' ' ALA . 65.6 mt -117.48 45.25 1.96 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.473 -0.767 . . . . 0.0 110.211 -178.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.71 38.89 0.1 Allowed Glycine 0 N--CA 1.489 2.215 0 C-N-CA 119.989 -1.101 . . . . 0.0 110.381 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.54 -58.05 0.12 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.806 -1.408 . . . . 0.0 109.519 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.8 m -98.95 36.94 1.6 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.118 -0.989 . . . . 0.0 109.233 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.62 118.66 71.86 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.286 -0.884 . . . . 0.0 109.797 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -79.4 -174.32 2.23 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.87 1.713 . . . . 0.0 111.32 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.477 ' OD1' ' NE2' ' A' ' 137' ' ' GLN . 42.0 t0 -108.0 127.66 53.96 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.434 -0.791 . . . . 0.0 109.045 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.521 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 96.7 mt -92.61 138.84 31.15 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.42 0.629 . . . . 0.0 110.197 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.521 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 57.5 mm-40 . . . . . 0 N--CA 1.495 1.793 0 CA-C-O 117.878 -1.058 . . . . 0.0 109.044 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.29 0.567 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.27 -174.18 4.38 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.371 -0.831 . . . . 0.0 109.397 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.463 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 90.2 t -74.65 142.66 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.431 -0.793 . . . . 0.0 109.01 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 11.3 m-70 -150.01 145.73 26.59 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.438 -0.789 . . . . 0.0 109.786 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -84.62 94.21 8.56 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.427 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.1 p -87.81 125.0 66.24 Favored Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.185 -0.947 . . . . 0.0 109.198 -179.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.64 ' HA ' HG22 ' A' ' 112' ' ' THR . 71.4 Cg_exo -48.23 140.12 20.49 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 121.78 1.653 . . . . 0.0 113.524 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.48 -31.7 72.6 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.834 0.826 . . . . 0.0 109.298 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.9 p -62.03 -28.46 69.6 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.806 -0.558 . . . . 0.0 112.146 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.8 m -101.62 24.97 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 120.85 -1.156 . . . . 0.0 111.393 -178.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.3 mt -91.86 126.18 36.85 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.698 -1.251 . . . . 0.0 108.867 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.8 mt -93.95 118.68 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.401 -0.812 . . . . 0.0 110.194 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -134.15 95.33 16.89 Favored Pre-proline 0 N--CA 1.494 1.77 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -97.43 30.53 0.15 Allowed 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 123.103 2.535 . . . . 0.0 112.004 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tp -140.55 124.72 10.63 Favored Pre-proline 0 N--CA 1.498 1.942 0 O-C-N 121.212 -0.93 . . . . 0.0 109.066 -178.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -76.55 167.12 26.13 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.94 1.76 . . . . 0.0 111.787 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.9 m -155.78 162.12 40.55 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.06 -1.025 . . . . 0.0 109.879 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 56' ' ' VAL . 2.8 p -99.81 116.98 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.2 mt -98.67 145.89 26.42 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 122.234 1.016 . . . . 0.0 110.826 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -100.81 133.56 21.05 Favored Pre-proline 0 C--N 1.298 -1.636 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.095 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -75.74 -16.75 18.45 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 122.002 1.801 . . . . 0.0 113.145 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.541 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -86.89 -43.02 12.75 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.999 -1.063 . . . . 0.0 109.994 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -70.66 -31.88 68.95 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.269 -0.894 . . . . 0.0 109.677 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.7 t -68.4 -35.94 72.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.922 -1.111 . . . . 0.0 108.968 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -66.73 -35.6 80.49 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.0 t -65.94 -38.0 87.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.34 -0.85 . . . . 0.0 109.216 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.54 -46.63 30.99 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.235 -0.915 . . . . 0.0 108.68 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.7 t -55.17 -34.64 33.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.72 -33.43 58.17 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.467 -0.771 . . . . 0.0 109.622 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.0 m -67.61 -51.74 46.67 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.145 -0.972 . . . . 0.0 109.402 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.625 ' CG2' HH12 ' A' ' 110' ' ' ARG . 16.7 mt -57.9 -41.4 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.376 -0.827 . . . . 0.0 109.151 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.498 ' NE ' HD22 ' A' ' 108' ' ' LEU . 59.7 mtt180 -77.04 -32.56 57.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.276 -0.89 . . . . 0.0 110.373 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -86.11 -35.66 20.07 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.845 -1.159 . . . . 0.0 109.855 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -159.41 100.67 1.54 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.231 -0.918 . . . . 0.0 109.439 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.6 -8.7 21.94 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.522 1.482 . . . . 0.0 113.175 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.41 ' C ' ' H ' ' A' ' 76' ' ' VAL . 51.3 m-20 -86.39 -29.99 22.48 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.788 -1.195 . . . . 0.0 110.436 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.3 p -77.9 21.27 0.32 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.862 -1.148 . . . . 0.0 109.401 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.41 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.1 t -126.98 103.83 23.36 Favored Pre-proline 0 N--CA 1.499 2.003 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -75.9 162.21 35.1 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 121.75 1.633 . . . . 0.0 113.031 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.18 172.37 16.14 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.852 2.368 . . . . 0.0 112.116 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 pt -112.5 165.91 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -88.82 135.58 33.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.266 -0.896 . . . . 0.0 108.731 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.0 t -136.96 138.74 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.438 -0.789 . . . . 0.0 109.191 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 mt -86.53 127.76 34.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.467 -0.771 . . . . 0.0 110.122 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -104.34 111.06 23.54 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 84' ' ' ILE . 19.1 mt -127.82 140.75 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.358 -0.839 . . . . 0.0 109.74 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.618 ' HZ1' ' CG ' ' A' ' 91' ' ' ASP . 4.9 tttp -104.62 156.35 18.05 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.681 -0.637 . . . . 0.0 109.478 -179.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.74 -169.79 31.25 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.6 -7.15 36.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.699 -0.883 . . . . 0.0 110.778 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -129.91 39.3 3.71 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.07 -1.019 . . . . 0.0 110.806 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.433 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 67.67 -10.98 0.95 Allowed Glycine 0 N--CA 1.493 2.48 0 O-C-N 121.125 -0.984 . . . . 0.0 111.674 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -51.99 109.47 0.86 Allowed Glycine 0 N--CA 1.487 2.053 0 O-C-N 120.739 -1.448 . . . . 0.0 109.712 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.618 ' CG ' ' HZ1' ' A' ' 85' ' ' LYS . 3.9 m-20 -77.49 134.3 38.37 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.423 -1.045 . . . . 0.0 109.053 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.1 m-85 -128.95 125.41 37.43 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -102.2 117.26 34.39 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.256 -0.902 . . . . 0.0 110.136 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -105.6 134.11 49.24 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.69 135.79 52.5 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.521 -0.737 . . . . 0.0 109.279 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -135.51 90.63 2.63 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 135.51 -162.53 24.89 Favored Glycine 0 N--CA 1.496 2.638 0 N-CA-C 108.754 -1.739 . . . . 0.0 108.754 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.2 24.91 0.99 Allowed Glycine 0 N--CA 1.495 2.573 0 O-C-N 121.16 -1.2 . . . . 0.0 110.372 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.5 m -58.09 -55.54 33.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.913 -1.345 . . . . 0.0 109.93 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -55.24 -39.74 70.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.04 -1.037 . . . . 0.0 109.596 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -67.46 -31.16 71.13 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.016 -1.053 . . . . 0.0 109.435 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 102' ' ' TYR . 14.5 t80 -66.86 -42.17 86.08 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.955 -1.091 . . . . 0.0 108.515 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.07 -42.77 95.28 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.327 -0.858 . . . . 0.0 109.723 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.13 -46.36 89.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.188 -0.945 . . . . 0.0 109.531 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -68.9 -41.74 77.82 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.183 -0.948 . . . . 0.0 109.057 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -33.32 75.22 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.268 -0.895 . . . . 0.0 109.38 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.459 ' C ' ' H ' ' A' ' 109' ' ' GLN . 29.1 tt0 -70.89 -41.95 70.65 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.342 -0.849 . . . . 0.0 109.514 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.498 HD22 ' NE ' ' A' ' 70' ' ' ARG . 93.4 mt -72.05 12.67 0.38 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.208 -0.932 . . . . 0.0 109.444 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.459 ' H ' ' C ' ' A' ' 107' ' ' GLN . 50.1 mm-40 46.82 32.96 1.95 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.384 -0.822 . . . . 0.0 110.267 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.625 HH12 ' CG2' ' A' ' 69' ' ' ILE . 21.7 mmt85 -68.76 156.33 38.5 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.927 -1.108 . . . . 0.0 108.58 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.406 ' CD ' ' N ' ' A' ' 111' ' ' GLU . 5.5 mp0 -80.75 -41.02 24.21 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.406 -0.809 . . . . 0.0 110.694 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.64 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.0 p -133.95 177.4 7.75 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.031 -1.043 . . . . 0.0 110.58 -178.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.58 141.44 28.34 Favored Pre-proline 0 N--CA 1.503 2.179 0 O-C-N 121.742 -0.599 . . . . 0.0 109.718 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -67.47 130.23 21.87 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 CA-C-N 120.018 1.042 . . . . 0.0 110.754 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -149.0 133.38 17.51 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.198 -0.939 . . . . 0.0 109.713 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -78.52 115.37 18.18 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.522 -0.736 . . . . 0.0 109.169 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 49.3 mt -80.55 135.09 36.03 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.082 -1.012 . . . . 0.0 109.292 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 64.4 t -136.21 111.8 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.467 -0.771 . . . . 0.0 109.025 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.6 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -49.77 131.66 21.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.228 -0.92 . . . . 0.0 109.422 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.4 m -134.27 -179.53 5.63 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.481 -0.762 . . . . 0.0 109.141 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.1 p -127.89 160.68 31.08 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.594 -0.691 . . . . 0.0 109.338 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.4 tp -55.89 -36.5 67.71 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.17 -0.956 . . . . 0.0 109.746 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.3 t -54.54 -45.98 73.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.883 -1.135 . . . . 0.0 109.505 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.22 -46.93 75.96 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.144 -0.973 . . . . 0.0 108.462 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.1 tp -58.86 -38.41 78.7 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.97 -1.081 . . . . 0.0 108.952 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.9 ttt-85 -56.59 -35.33 68.09 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.223 -0.923 . . . . 0.0 109.211 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 81.6 t -59.44 -33.72 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -90.47 -48.7 6.94 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.301 -0.874 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 131' ' ' ALA . 65.9 mt -115.7 44.12 1.95 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.431 -0.793 . . . . 0.0 110.319 -178.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.79 39.0 0.1 Allowed Glycine 0 N--CA 1.488 2.131 0 C-N-CA 119.944 -1.122 . . . . 0.0 110.37 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.6 -57.77 0.12 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.806 -1.408 . . . . 0.0 109.623 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.4 m -98.72 36.55 1.64 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.077 -1.015 . . . . 0.0 109.26 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.1 119.04 75.07 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.404 -0.81 . . . . 0.0 109.884 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -81.33 -174.33 2.16 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.029 1.819 . . . . 0.0 111.422 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.468 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 46.1 t0 -106.09 130.18 54.04 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.425 -0.797 . . . . 0.0 109.001 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.531 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.1 mt -89.84 137.06 32.65 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.525 0.678 . . . . 0.0 110.331 -179.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 61.6 mm-40 . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.289 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.774 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.32 -174.12 4.12 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.336 -0.852 . . . . 0.0 109.384 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.2 t -74.62 141.35 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.344 -0.847 . . . . 0.0 108.787 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -145.88 147.58 31.93 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.23 -0.918 . . . . 0.0 109.781 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -84.3 93.09 8.15 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.6 p -88.05 122.61 69.87 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.188 -0.945 . . . . 0.0 108.672 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.664 ' HA ' HG22 ' A' ' 112' ' ' THR . 56.7 Cg_exo -47.06 143.02 10.53 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 121.683 1.588 . . . . 0.0 113.39 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.2 mt -69.98 -29.59 66.73 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.262 -0.899 . . . . 0.0 109.174 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.1 t -71.64 -12.22 61.23 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.516 -0.74 . . . . 0.0 112.54 -177.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 m -113.84 26.22 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.239 0 O-C-N 120.652 -1.28 . . . . 0.0 110.674 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.4 mt -97.78 123.46 41.73 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.974 -1.079 . . . . 0.0 108.908 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.2 mt -87.93 118.88 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.255 -0.903 . . . . 0.0 109.992 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.0 mtp-105 -133.96 93.44 20.28 Favored Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 121.759 -0.588 . . . . 0.0 109.508 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -99.38 29.52 0.13 Allowed 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 123.169 2.58 . . . . 0.0 112.175 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tt -142.03 88.15 9.42 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 121.155 -0.966 . . . . 0.0 109.897 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -48.64 169.51 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.299 1.999 . . . . 0.0 111.964 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m -158.02 165.6 34.66 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.138 -0.977 . . . . 0.0 110.026 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 56' ' ' VAL . 2.8 p -95.97 116.76 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.0 mt -96.51 146.2 25.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.106 -0.996 . . . . 0.0 111.028 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -98.85 134.35 21.61 Favored Pre-proline 0 C--N 1.298 -1.632 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.002 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.533 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 92.4 Cg_endo -76.63 -16.18 16.85 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.922 1.748 . . . . 0.0 113.125 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.54 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -87.27 -44.18 11.63 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.866 -1.146 . . . . 0.0 110.036 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -31.6 70.94 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.278 -0.888 . . . . 0.0 109.624 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.8 t -67.5 -53.6 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.993 -1.067 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.533 ' NE2' ' O ' ' A' ' 59' ' ' PRO . 1.4 mt-30 -54.08 -38.67 65.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.208 -0.933 . . . . 0.0 109.043 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.5 t -61.57 -37.73 84.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -0.888 . . . . 0.0 109.34 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.55 -47.86 24.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.294 -0.879 . . . . 0.0 108.852 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.6 t -54.41 -28.7 19.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -75.16 -41.8 57.39 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.482 -0.761 . . . . 0.0 109.723 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.8 m -63.59 -50.09 70.79 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.306 -0.871 . . . . 0.0 109.193 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.9 mt -58.04 -40.72 78.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.456 -0.777 . . . . 0.0 109.213 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -76.29 -31.98 58.53 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.325 -0.86 . . . . 0.0 110.444 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -83.3 -36.46 24.45 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.785 -1.197 . . . . 0.0 109.623 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -158.42 96.41 1.83 Allowed Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.385 -0.822 . . . . 0.0 109.329 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.64 -17.56 29.62 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 121.595 1.53 . . . . 0.0 113.605 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -94.12 3.41 55.34 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.729 -1.232 . . . . 0.0 110.359 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.5 m -106.65 14.35 27.03 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.157 -0.964 . . . . 0.0 110.133 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -112.84 136.19 21.64 Favored Pre-proline 0 N--CA 1.501 2.102 0 O-C-N 121.29 -0.881 . . . . 0.0 108.635 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -79.56 162.7 24.59 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 121.879 1.719 . . . . 0.0 113.259 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -82.23 170.8 13.16 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.795 2.33 . . . . 0.0 111.63 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.442 HG22 ' NH2' ' A' ' 101' ' ' ARG . 4.0 pt -109.16 163.63 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -89.28 132.71 34.78 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.187 -0.946 . . . . 0.0 108.48 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.89 139.0 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.393 -0.817 . . . . 0.0 109.188 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.7 mt -85.76 131.61 34.29 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.475 -0.765 . . . . 0.0 110.074 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -109.8 105.01 14.06 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 54.8 mt -122.27 147.78 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.354 -0.841 . . . . 0.0 109.97 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.498 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 37.9 mttp -109.17 157.0 19.19 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 121.562 0.696 . . . . 0.0 109.517 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.64 -172.36 36.31 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.75 -6.97 23.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.663 -0.904 . . . . 0.0 110.73 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -128.95 32.92 4.68 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.069 -1.019 . . . . 0.0 110.658 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.59 -14.19 4.5 Favored Glycine 0 N--CA 1.495 2.584 0 O-C-N 121.148 -0.97 . . . . 0.0 111.18 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.47 106.29 0.17 Allowed Glycine 0 N--CA 1.487 2.074 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.498 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 8.8 m-20 -76.11 134.84 39.89 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.465 -1.021 . . . . 0.0 109.137 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 99.0 m-85 -128.7 148.91 50.86 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -121.65 118.92 30.36 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.347 -0.846 . . . . 0.0 110.054 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -108.51 133.38 52.73 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 t -124.37 134.54 53.11 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.534 -0.729 . . . . 0.0 109.328 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -134.87 88.67 2.45 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 133.96 -164.02 24.47 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 108.883 -1.687 . . . . 0.0 108.883 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 46.7 13.58 0.09 OUTLIER Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.532 ' N ' ' O ' ' A' ' 97' ' ' GLY . 8.0 m -50.14 -49.13 52.99 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.015 -1.285 . . . . 0.0 109.541 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -57.29 -41.31 79.53 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.193 -0.942 . . . . 0.0 109.563 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.442 ' NH2' HG22 ' A' ' 79' ' ' ILE . 39.4 mtm180 -67.03 -30.07 70.05 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.986 -1.071 . . . . 0.0 109.381 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -67.29 -43.86 80.7 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.888 -1.133 . . . . 0.0 108.508 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.55 -48.21 81.63 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.308 -0.87 . . . . 0.0 109.572 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.19 -47.87 82.08 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.182 -0.949 . . . . 0.0 109.274 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -65.27 -35.58 81.46 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.269 -0.895 . . . . 0.0 108.841 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -70.69 -36.54 73.35 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.241 -0.912 . . . . 0.0 109.616 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -67.13 -31.67 72.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.339 -0.851 . . . . 0.0 109.55 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.4 mt -82.4 6.46 17.07 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.253 -0.905 . . . . 0.0 109.659 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 50.8 22.08 1.07 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.339 -0.851 . . . . 0.0 110.347 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -57.27 154.92 9.62 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.943 -1.098 . . . . 0.0 108.415 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -79.91 -41.92 25.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.312 -0.867 . . . . 0.0 110.389 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.664 HG22 ' HA ' ' A' ' 45' ' ' PRO . 33.5 p -133.02 176.96 8.04 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.972 -1.08 . . . . 0.0 110.839 -178.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.8 tt -137.58 141.94 35.18 Favored Pre-proline 0 N--CA 1.499 1.975 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -84.95 119.75 2.2 Favored 'Trans proline' 0 N--CA 1.482 0.838 0 CA-C-N 120.269 1.132 . . . . 0.0 110.92 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -135.37 138.57 43.47 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 121.599 0.714 . . . . 0.0 110.282 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -71.6 115.54 10.9 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.4 mt -80.83 138.18 36.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.962 -1.086 . . . . 0.0 109.244 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 97.7 t -134.29 110.78 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.604 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -48.83 138.62 10.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.186 -0.946 . . . . 0.0 109.442 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.1 m -141.34 -179.0 5.87 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.274 -0.891 . . . . 0.0 109.253 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.1 p -130.67 162.28 29.76 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.544 -0.722 . . . . 0.0 109.368 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 22.9 tp -56.23 -34.41 66.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.905 -1.122 . . . . 0.0 109.605 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.6 t -55.23 -45.46 75.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.874 -1.141 . . . . 0.0 109.212 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -54.95 -42.65 72.6 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.9 tp -63.72 -32.0 73.35 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.204 -0.935 . . . . 0.0 109.123 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -62.83 -34.06 76.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.862 -1.149 . . . . 0.0 109.042 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.29 -34.21 62.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 121.207 -0.933 . . . . 0.0 108.67 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -90.51 -47.5 7.67 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.281 -0.887 . . . . 0.0 110.821 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 131' ' ' ALA . 60.6 mt -119.55 46.19 1.97 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.462 -0.774 . . . . 0.0 110.283 -177.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.68 38.94 0.1 Allowed Glycine 0 N--CA 1.489 2.188 0 C-N-CA 120.006 -1.093 . . . . 0.0 110.395 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.65 -55.88 0.1 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.796 -1.414 . . . . 0.0 109.502 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.8 t -99.84 36.04 1.9 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.191 -0.943 . . . . 0.0 109.363 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.35 117.04 60.22 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.278 -0.889 . . . . 0.0 109.563 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -74.55 -177.81 3.6 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.606 1.538 . . . . 0.0 111.782 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.502 ' OD1' ' NE2' ' A' ' 137' ' ' GLN . 45.5 t0 -104.88 118.1 35.7 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.532 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 97.9 mt -82.72 139.79 33.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.505 -0.747 . . . . 0.0 110.306 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.532 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 63.8 mm-40 . . . . . 0 N--CA 1.496 1.874 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.319 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.945 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -155.71 -174.66 5.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.242 -0.911 . . . . 0.0 109.897 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -76.78 142.13 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -145.42 163.19 35.39 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.207 -0.933 . . . . 0.0 109.789 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 43' ' ' ASN . 10.0 p30 -102.85 94.09 5.4 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.448 ' CG1' HD21 ' A' ' 49' ' ' LEU . 4.1 p -87.06 125.7 65.42 Favored Pre-proline 0 N--CA 1.497 1.878 0 O-C-N 121.258 -0.901 . . . . 0.0 109.538 -178.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.649 ' HA ' HG22 ' A' ' 112' ' ' THR . 80.7 Cg_exo -47.95 139.77 19.54 Favored 'Trans proline' 0 N--CA 1.499 1.803 0 C-N-CA 121.755 1.637 . . . . 0.0 113.453 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mt -67.5 -29.47 68.9 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.266 -0.896 . . . . 0.0 108.997 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -66.46 -19.07 65.7 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.593 -0.692 . . . . 0.0 112.17 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.8 m -110.77 24.06 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.269 0 O-C-N 120.698 -1.252 . . . . 0.0 110.877 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.448 HD21 ' CG1' ' A' ' 44' ' ' VAL . 65.5 mt -89.95 123.38 33.82 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.727 -1.233 . . . . 0.0 108.991 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.6 mt -94.1 116.29 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.323 -0.861 . . . . 0.0 109.783 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.5 mtp-105 -135.42 96.19 14.0 Favored Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 121.665 -0.647 . . . . 0.0 109.515 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -95.51 26.97 0.27 Allowed 'Trans proline' 0 C--N 1.314 -1.258 0 C-N-CA 122.883 2.389 . . . . 0.0 111.878 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 tt -141.76 94.75 7.22 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 121.351 -0.843 . . . . 0.0 109.378 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.81 166.61 28.92 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 121.554 1.503 . . . . 0.0 111.726 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m -147.46 168.06 22.86 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.108 -0.995 . . . . 0.0 110.011 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 56' ' ' VAL . 3.7 p -85.53 110.94 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 72.4 mt -92.09 146.86 23.39 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.01 -1.056 . . . . 0.0 110.582 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 3.1 t70 -103.13 137.27 19.21 Favored Pre-proline 0 C--N 1.299 -1.597 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -75.75 -15.93 18.87 Favored 'Trans proline' 0 N--CA 1.496 1.656 0 C-N-CA 121.973 1.782 . . . . 0.0 112.66 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.413 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.73 -38.63 18.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.06 -1.025 . . . . 0.0 109.808 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.416 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 7.4 ttmt -74.53 -31.91 62.29 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.154 -0.967 . . . . 0.0 109.512 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.25 -36.03 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.994 -1.066 . . . . 0.0 108.868 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -64.59 -40.93 96.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.285 -0.884 . . . . 0.0 109.17 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.3 t -61.55 -37.65 84.56 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.315 -0.866 . . . . 0.0 109.298 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mt -75.07 -47.92 26.43 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.283 -0.886 . . . . 0.0 108.669 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.2 t -55.77 -32.61 32.24 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -76.5 -34.67 58.61 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.531 -0.73 . . . . 0.0 109.647 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.4 m -67.41 -51.16 55.2 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.073 -1.017 . . . . 0.0 109.393 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.4 mt -57.91 -40.87 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.432 -0.793 . . . . 0.0 109.169 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.9 mtp85 -76.68 -33.46 58.25 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.279 -0.888 . . . . 0.0 110.156 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -87.06 -35.27 18.83 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.822 -1.174 . . . . 0.0 110.2 -179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -157.42 97.36 1.99 Allowed Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.167 -0.958 . . . . 0.0 109.663 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.54 -3.86 14.47 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 121.556 1.504 . . . . 0.0 112.911 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -91.21 -28.47 17.8 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.951 -1.093 . . . . 0.0 110.956 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.4 t -84.2 22.74 1.16 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.705 -1.247 . . . . 0.0 109.561 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 t -118.38 104.07 48.36 Favored Pre-proline 0 N--CA 1.5 2.031 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -75.07 162.37 37.06 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 121.626 1.551 . . . . 0.0 113.045 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.64 171.68 17.71 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.915 2.41 . . . . 0.0 112.151 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.1 pt -110.29 163.17 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.63 128.32 34.53 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.0 t -132.75 137.46 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.355 -0.84 . . . . 0.0 109.038 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.7 mt -86.23 133.05 33.86 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.571 -0.706 . . . . 0.0 110.11 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -110.27 107.36 17.09 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 84' ' ' ILE . 35.2 mt -125.37 146.04 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 121.363 -0.836 . . . . 0.0 109.8 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.518 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 38.3 mttp -108.61 157.11 18.8 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-O 121.583 0.706 . . . . 0.0 109.565 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.71 -170.57 31.45 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.96 -5.88 19.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.79 -0.829 . . . . 0.0 110.797 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -128.92 30.71 5.03 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.183 -0.948 . . . . 0.0 110.591 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.79 -13.68 4.01 Favored Glycine 0 N--CA 1.495 2.57 0 C-N-CA 120.15 -1.024 . . . . 0.0 110.947 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.52 109.78 0.58 Allowed Glycine 0 N--CA 1.486 2.006 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.518 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 11.6 m-20 -77.88 134.36 37.95 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.421 -1.046 . . . . 0.0 108.89 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 96.1 m-85 -129.32 131.09 46.86 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -105.81 119.94 40.44 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.298 -0.877 . . . . 0.0 110.143 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -107.5 142.52 37.24 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.44 136.34 47.89 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.531 -0.731 . . . . 0.0 109.402 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -137.97 91.28 2.56 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 132.64 -164.2 24.02 Favored Glycine 0 N--CA 1.497 2.723 0 N-CA-C 108.574 -1.81 . . . . 0.0 108.574 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.88 15.63 0.11 Allowed Glycine 0 N--CA 1.493 2.452 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 97' ' ' GLY . 6.5 m -49.81 -51.81 36.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.073 -1.251 . . . . 0.0 109.916 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -59.75 -36.32 76.4 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.105 -0.997 . . . . 0.0 109.576 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -68.27 -29.32 68.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.965 -1.084 . . . . 0.0 109.433 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -68.15 -42.94 79.32 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.995 -1.066 . . . . 0.0 108.81 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.12 -46.65 85.22 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.302 -0.874 . . . . 0.0 109.719 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.06 -46.56 82.38 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.219 -0.926 . . . . 0.0 109.497 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -68.19 -38.28 81.85 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.163 -0.961 . . . . 0.0 109.133 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -67.99 -33.31 74.38 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.178 -0.951 . . . . 0.0 109.551 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -72.56 -38.63 67.89 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.344 -0.848 . . . . 0.0 110.007 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.6 mt -76.58 8.68 3.32 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.166 -0.958 . . . . 0.0 109.863 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 45.15 60.31 3.07 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.293 -0.879 . . . . 0.0 110.197 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -93.18 161.62 14.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.093 -1.004 . . . . 0.0 108.612 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -82.41 -42.73 18.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.298 -0.876 . . . . 0.0 109.842 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.649 HG22 ' HA ' ' A' ' 45' ' ' PRO . 37.2 p -135.52 177.35 7.89 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.983 -1.073 . . . . 0.0 110.033 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.1 tt -138.43 141.0 29.92 Favored Pre-proline 0 N--CA 1.504 2.235 0 O-C-N 121.69 -0.631 . . . . 0.0 109.772 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -68.54 131.09 22.2 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 CA-C-N 120.022 1.044 . . . . 0.0 110.625 178.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -150.27 129.45 12.76 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.142 -0.973 . . . . 0.0 109.992 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -70.9 116.73 11.53 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.4 mt -83.76 137.45 33.73 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.954 -1.091 . . . . 0.0 109.428 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.6 t -137.55 111.88 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.598 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -48.78 138.98 10.4 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.166 -0.959 . . . . 0.0 109.46 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.6 m -141.88 -178.87 5.89 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.278 -0.889 . . . . 0.0 109.426 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.1 p -129.06 160.63 32.17 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.489 -0.757 . . . . 0.0 109.536 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.5 tp -55.54 -35.23 65.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.156 -0.965 . . . . 0.0 109.596 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.5 t -53.88 -45.31 71.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.915 -1.116 . . . . 0.0 109.03 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -55.23 -41.36 71.99 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.229 -0.919 . . . . 0.0 108.619 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.5 tp -64.95 -32.06 73.59 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.069 -1.019 . . . . 0.0 109.137 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -64.12 -34.84 78.97 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.869 -1.145 . . . . 0.0 109.135 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.25 -35.13 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 121.12 -0.988 . . . . 0.0 108.618 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -90.22 -47.47 7.77 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.225 -0.922 . . . . 0.0 110.67 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 131' ' ' ALA . 62.6 mt -118.21 46.15 1.85 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.456 -0.778 . . . . 0.0 110.12 -178.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.4 38.79 0.1 OUTLIER Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -155.39 -54.93 0.09 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.855 -1.379 . . . . 0.0 109.49 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.5 m -100.02 35.59 2.02 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.186 -0.946 . . . . 0.0 109.373 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.77 116.73 57.96 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.271 -0.893 . . . . 0.0 109.519 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -75.26 -178.03 3.94 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.65 1.567 . . . . 0.0 111.797 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.526 ' C ' HE21 ' A' ' 137' ' ' GLN . 26.9 t0 -103.97 118.67 37.22 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.531 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.8 mt -81.41 137.89 35.64 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.497 -0.752 . . . . 0.0 110.492 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 58.6 mm-40 . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 117.978 -1.011 . . . . 0.0 109.173 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.797 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -138.43 -174.73 3.89 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.371 -0.831 . . . . 0.0 109.524 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.517 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 92.8 t -75.15 143.52 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.382 -0.824 . . . . 0.0 109.227 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 15.2 m-70 -152.16 141.14 21.17 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.378 -0.826 . . . . 0.0 109.484 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -80.18 96.9 6.69 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.2 p -91.06 124.7 61.01 Favored Pre-proline 0 N--CA 1.498 1.934 0 O-C-N 121.151 -0.968 . . . . 0.0 108.855 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.652 ' HA ' HG22 ' A' ' 112' ' ' THR . 71.0 Cg_exo -47.99 142.15 15.96 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 121.688 1.592 . . . . 0.0 113.471 -179.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -67.37 -34.31 77.03 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.816 0.817 . . . . 0.0 109.251 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.3 p -60.49 -34.4 74.0 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.9 -0.5 . . . . 0.0 111.91 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.7 m -94.64 18.63 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.758 -1.214 . . . . 0.0 111.569 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.1 mt -85.32 135.2 34.0 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.519 -1.363 . . . . 0.0 108.452 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.8 mt -103.69 115.85 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.525 -0.735 . . . . 0.0 109.956 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -133.28 95.96 17.81 Favored Pre-proline 0 N--CA 1.495 1.818 0 O-C-N 121.633 -0.667 . . . . 0.0 109.639 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -97.45 29.54 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 122.979 2.452 . . . . 0.0 111.746 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tt -140.81 87.92 10.92 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 121.315 -0.866 . . . . 0.0 109.779 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -49.09 169.42 0.1 OUTLIER 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.455 2.103 . . . . 0.0 112.015 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.6 m -156.53 165.32 36.62 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.132 -0.98 . . . . 0.0 109.893 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.8 t -97.11 110.22 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.2 mt -93.91 146.77 23.67 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.278 -0.889 . . . . 0.0 110.642 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.8 t70 -110.5 139.64 21.75 Favored Pre-proline 0 N--CA 1.492 1.642 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 179.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.57 -21.83 16.49 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.059 1.84 . . . . 0.0 113.004 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.514 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -76.14 -41.65 49.26 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.022 -1.048 . . . . 0.0 110.152 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -73.83 -38.76 64.44 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.177 -0.952 . . . . 0.0 109.509 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 75.0 t -64.73 -35.5 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.006 -1.059 . . . . 0.0 109.265 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -66.65 -38.1 86.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.19 -0.944 . . . . 0.0 108.718 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.7 t -64.59 -37.52 87.83 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.264 -0.897 . . . . 0.0 109.306 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mt -76.27 -46.58 27.32 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.269 -0.894 . . . . 0.0 108.789 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.4 t -55.41 -32.33 29.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -75.99 -35.36 59.62 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.412 -0.805 . . . . 0.0 109.508 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 m -67.32 -51.33 53.85 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.157 -0.964 . . . . 0.0 109.291 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.0 mt -57.61 -41.4 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.371 -0.831 . . . . 0.0 109.141 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -76.73 -32.77 58.01 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.247 -0.908 . . . . 0.0 110.25 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -85.38 -36.34 20.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.81 -1.182 . . . . 0.0 109.944 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -154.27 94.5 2.82 Favored Pre-proline 0 N--CA 1.494 1.728 0 O-C-N 121.261 -0.899 . . . . 0.0 109.41 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.15 -21.02 36.92 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 121.374 1.382 . . . . 0.0 112.977 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -85.52 -23.5 27.69 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.9 -1.125 . . . . 0.0 110.534 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.3 t -80.84 17.77 1.12 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.865 -1.147 . . . . 0.0 109.608 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 t -118.75 113.42 36.2 Favored Pre-proline 0 N--CA 1.499 1.993 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -76.35 162.3 33.79 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 121.66 1.573 . . . . 0.0 113.004 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.09 172.81 15.46 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.792 2.328 . . . . 0.0 112.045 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.422 HG22 HH21 ' A' ' 101' ' ' ARG . 4.4 pt -112.53 165.98 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.703 -0.623 . . . . 0.0 109.522 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -87.87 134.27 33.74 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 121.351 -0.843 . . . . 0.0 108.77 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.0 t -137.56 137.82 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.343 -0.848 . . . . 0.0 109.134 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.3 mt -87.43 136.52 32.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.513 -0.742 . . . . 0.0 109.449 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -116.14 108.47 16.21 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 84' ' ' ILE . 39.5 mt -126.22 148.79 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.404 -0.81 . . . . 0.0 110.182 -178.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.527 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 35.2 mttp -108.78 157.53 18.49 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.678 0.751 . . . . 0.0 110.0 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.07 -164.43 29.92 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.25 -6.94 43.54 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.611 -0.935 . . . . 0.0 110.783 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.433 ' C ' ' H ' ' A' ' 90' ' ' GLY . 36.7 mt-30 -131.17 40.32 3.46 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.02 -1.05 . . . . 0.0 110.696 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.4 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 65.66 -11.41 0.41 Allowed Glycine 0 N--CA 1.494 2.566 0 O-C-N 121.167 -0.958 . . . . 0.0 111.678 178.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.533 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.16 108.46 0.36 Allowed Glycine 0 N--CA 1.487 2.1 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.527 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 4.9 m-20 -76.82 131.15 38.5 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.428 -1.042 . . . . 0.0 109.38 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.533 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 94.9 m-85 -126.72 124.59 40.12 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -98.58 119.59 37.56 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.239 -0.913 . . . . 0.0 110.143 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -107.98 131.35 54.65 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 t -122.75 131.59 53.85 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.644 -0.66 . . . . 0.0 109.356 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -131.6 88.14 2.54 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 141.65 -165.59 26.42 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 108.621 -1.792 . . . . 0.0 108.621 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.01 23.06 0.56 Allowed Glycine 0 N--CA 1.494 2.534 0 O-C-N 121.117 -1.226 . . . . 0.0 110.404 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 97' ' ' GLY . 5.2 m -53.31 -52.87 57.73 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.908 -1.348 . . . . 0.0 109.658 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -63.51 -38.37 90.88 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.118 -0.989 . . . . 0.0 109.63 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.422 HH21 HG22 ' A' ' 79' ' ' ILE . 7.4 ttp180 -64.6 -30.61 71.64 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.959 -1.088 . . . . 0.0 109.359 179.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -67.6 -42.18 82.85 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.178 -0.951 . . . . 0.0 108.611 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.39 -44.29 92.8 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.327 -0.858 . . . . 0.0 109.668 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.44 -45.0 89.38 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.167 -0.958 . . . . 0.0 109.316 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -69.42 -40.79 77.08 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.303 -0.873 . . . . 0.0 109.037 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -65.92 -33.67 76.35 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.209 -0.932 . . . . 0.0 109.611 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -72.06 -39.32 69.12 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.257 -0.902 . . . . 0.0 109.81 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 98.2 mt -75.82 12.33 1.11 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.139 -0.976 . . . . 0.0 109.527 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 44.99 43.02 6.88 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.385 -0.822 . . . . 0.0 110.444 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 20.6 mmt85 -79.45 155.76 28.16 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.0 -1.063 . . . . 0.0 108.574 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -79.39 -41.65 27.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.378 -0.826 . . . . 0.0 110.59 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.652 HG22 ' HA ' ' A' ' 45' ' ' PRO . 37.2 p -133.93 177.24 7.88 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.019 -1.051 . . . . 0.0 110.647 -178.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.71 141.45 27.98 Favored Pre-proline 0 N--CA 1.503 2.211 0 O-C-N 121.637 -0.665 . . . . 0.0 109.832 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -68.76 131.29 22.34 Favored 'Trans proline' 0 N--CA 1.491 1.34 0 C-N-CA 120.909 1.073 . . . . 0.0 110.8 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.83 137.42 15.99 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.265 -0.897 . . . . 0.0 109.288 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.78 122.37 27.6 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 59.1 mt -78.63 138.94 38.57 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.378 -0.826 . . . . 0.0 109.149 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.0 t -133.32 101.89 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.553 HE21 ' N ' ' A' ' 120' ' ' SER . 1.4 tm0? -55.42 127.46 29.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.29 -0.881 . . . . 0.0 109.014 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.553 ' N ' HE21 ' A' ' 119' ' ' GLN . 4.9 m -134.44 -178.23 4.96 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.449 -0.782 . . . . 0.0 109.58 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.1 p -121.79 163.06 19.77 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.603 -0.686 . . . . 0.0 109.521 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.2 tp -57.28 -37.37 72.3 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.051 -1.031 . . . . 0.0 109.81 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.4 t -54.2 -40.16 67.34 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.845 -1.159 . . . . 0.0 109.592 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -62.02 -43.39 98.94 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.933 -1.104 . . . . 0.0 108.621 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.4 tp -60.19 -39.12 85.4 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.005 -1.059 . . . . 0.0 109.033 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 130' ' ' GLY . 17.3 ttp180 -56.83 -37.12 70.79 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.19 -0.944 . . . . 0.0 108.808 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 99.9 t -56.46 -34.15 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.064 -1.022 . . . . 0.0 108.319 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -90.27 -48.78 6.93 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.313 -0.867 . . . . 0.0 110.786 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 131' ' ' ALA . 72.3 mt -116.56 45.29 1.84 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.506 -0.746 . . . . 0.0 110.323 -178.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -64.94 39.1 0.1 Allowed Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.853 -1.165 . . . . 0.0 110.39 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.82 -56.24 0.11 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.856 -1.379 . . . . 0.0 109.552 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.5 p -99.65 36.21 1.83 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.155 -0.966 . . . . 0.0 109.372 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -75.86 119.59 77.87 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.269 -0.894 . . . . 0.0 109.676 -179.376 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -79.41 -174.87 2.46 Favored 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 121.862 1.708 . . . . 0.0 111.516 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.517 ' C ' HE21 ' A' ' 137' ' ' GLN . 45.4 t0 -105.71 117.5 34.17 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.533 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 97.6 mt -81.85 139.05 34.95 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.427 -0.796 . . . . 0.0 110.292 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.533 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 59.2 mm-40 . . . . . 0 N--CA 1.496 1.874 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.256 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.728 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -148.79 -174.75 4.7 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.237 -0.914 . . . . 0.0 109.779 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.518 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 91.1 t -75.24 144.23 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.476 -0.765 . . . . 0.0 109.185 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 14.5 m-70 -152.25 150.69 30.07 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.348 -0.845 . . . . 0.0 109.691 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -87.68 94.96 9.89 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.3 p -88.0 124.12 67.53 Favored Pre-proline 0 N--CA 1.497 1.907 0 O-C-N 121.097 -1.002 . . . . 0.0 108.924 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.637 ' HA ' HG22 ' A' ' 112' ' ' THR . 85.3 Cg_exo -47.02 142.87 10.56 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 121.846 1.697 . . . . 0.0 113.673 -179.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mt -69.11 -31.26 69.84 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.408 -0.808 . . . . 0.0 109.164 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.5 t -69.14 -14.28 62.9 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.611 -0.681 . . . . 0.0 112.59 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.8 m -112.29 25.11 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.292 0 O-C-N 120.631 -1.293 . . . . 0.0 110.629 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.8 mt -89.13 139.14 30.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.899 -1.126 . . . . 0.0 108.541 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.0 mt -109.23 114.83 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.573 -0.704 . . . . 0.0 109.92 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -133.03 95.65 18.58 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.667 -0.646 . . . . 0.0 109.537 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -96.34 26.77 0.24 Allowed 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 122.863 2.376 . . . . 0.0 112.155 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tt -134.94 102.93 10.92 Favored Pre-proline 0 N--CA 1.502 2.129 0 O-C-N 121.366 -0.834 . . . . 0.0 109.917 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -47.42 169.4 0.06 OUTLIER 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 121.863 1.709 . . . . 0.0 112.055 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.7 m -158.5 162.64 37.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.087 -1.008 . . . . 0.0 109.989 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 56' ' ' VAL . 2.6 p -106.11 121.12 58.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.6 mt -105.55 146.71 29.26 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 122.038 0.923 . . . . 0.0 110.827 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.8 t70 -107.24 138.2 19.81 Favored Pre-proline 0 N--CA 1.49 1.533 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 178.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -76.46 -15.53 17.58 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 122.075 1.85 . . . . 0.0 113.105 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.404 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.5 -41.0 15.73 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.054 -1.029 . . . . 0.0 110.133 -179.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -74.99 -31.84 61.52 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.095 -1.003 . . . . 0.0 109.892 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 71.2 t -68.98 -35.91 71.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.009 -1.057 . . . . 0.0 109.427 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -66.76 -45.82 77.31 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.167 -0.958 . . . . 0.0 108.855 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 40.5 t -57.57 -38.19 74.39 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.187 -0.945 . . . . 0.0 109.321 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 mt -74.56 -50.47 17.9 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.31 -0.869 . . . . 0.0 109.118 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.6 t -55.03 -31.86 26.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -77.27 -37.22 53.37 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.56 -0.712 . . . . 0.0 109.541 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.7 m -63.73 -51.33 65.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.408 -0.808 . . . . 0.0 109.391 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.0 mt -57.48 -41.3 78.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 121.392 -0.818 . . . . 0.0 109.178 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.584 ' HE ' ' CD2' ' A' ' 108' ' ' LEU . 36.7 mtt-85 -77.15 -30.49 55.06 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.248 -0.908 . . . . 0.0 110.465 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -90.39 -34.26 15.72 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.749 -1.22 . . . . 0.0 110.157 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.425 ' OD2' ' OD1' ' A' ' 74' ' ' ASP . 21.4 t70 -158.98 97.8 1.67 Allowed Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.176 -0.953 . . . . 0.0 109.312 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.23 -0.7 10.63 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.647 1.565 . . . . 0.0 113.025 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 75' ' ' SER . 2.7 p30 -88.73 -42.0 12.22 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.959 -1.088 . . . . 0.0 110.096 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.518 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 5.8 m -71.84 24.38 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.036 -1.04 . . . . 0.0 109.919 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.484 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.1 t -124.79 103.3 31.2 Favored Pre-proline 0 N--CA 1.501 2.088 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.535 ' O ' ' NH2' ' A' ' 101' ' ' ARG . 49.3 Cg_endo -76.62 163.07 32.27 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 121.849 1.7 . . . . 0.0 113.035 -178.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.44 173.36 14.64 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 122.875 2.383 . . . . 0.0 112.117 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 pt -112.97 167.12 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -89.82 135.3 33.71 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.206 -0.934 . . . . 0.0 108.864 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.6 t -139.6 139.0 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.348 -0.845 . . . . 0.0 109.42 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.4 mt -85.88 142.46 28.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.349 -0.844 . . . . 0.0 109.467 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.442 ' NE1' ' OD1' ' A' ' 91' ' ' ASP . 12.0 t90 -122.13 109.63 14.77 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.422 HG21 HD13 ' A' ' 84' ' ' ILE . 25.9 mt -128.64 147.73 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 O-C-N 121.462 -0.774 . . . . 0.0 109.973 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.5 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 41.2 mttp -107.22 157.35 17.97 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.663 0.744 . . . . 0.0 109.959 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.44 -167.77 32.63 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.51 -6.95 39.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.695 -0.885 . . . . 0.0 110.852 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -129.36 33.91 4.45 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 120.974 -1.079 . . . . 0.0 110.792 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.07 -14.17 4.0 Favored Glycine 0 N--CA 1.495 2.612 0 O-C-N 121.129 -0.982 . . . . 0.0 111.278 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.524 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -49.42 108.05 0.39 Allowed Glycine 0 N--CA 1.485 1.944 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.5 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 6.1 m-20 -77.25 134.69 38.51 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.385 -1.068 . . . . 0.0 108.75 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.524 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 99.0 m-85 -128.03 126.49 41.38 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -100.93 119.94 39.43 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.25 -0.907 . . . . 0.0 110.137 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -108.31 130.15 55.2 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.81 -0.557 . . . . 0.0 109.546 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.1 t -121.21 128.44 52.44 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -126.6 87.51 2.67 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 135.29 -157.59 23.22 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 108.045 -2.022 . . . . 0.0 108.045 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.88 27.67 2.45 Favored Glycine 0 N--CA 1.493 2.447 0 O-C-N 121.141 -1.211 . . . . 0.0 110.168 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.8 m -60.31 -54.79 41.47 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.039 -1.271 . . . . 0.0 110.352 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -63.06 -55.02 29.1 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.059 -1.025 . . . . 0.0 109.95 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.535 ' NH2' ' O ' ' A' ' 77' ' ' PRO . 49.0 mtp180 -53.49 -29.65 37.26 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.875 -1.141 . . . . 0.0 109.029 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -72.26 -44.58 62.62 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.224 -0.922 . . . . 0.0 108.951 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.79 -46.98 83.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.297 -0.877 . . . . 0.0 109.875 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.03 -44.37 82.84 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.274 -0.891 . . . . 0.0 110.005 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -65.39 -37.75 87.92 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.125 -0.984 . . . . 0.0 109.24 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -67.32 -31.53 71.89 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.08 -1.013 . . . . 0.0 109.822 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -72.42 -35.9 68.46 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.157 -0.965 . . . . 0.0 110.258 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.584 ' CD2' ' HE ' ' A' ' 70' ' ' ARG . 99.0 mt -76.76 14.58 0.79 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.12 -0.987 . . . . 0.0 109.783 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 44.81 30.63 0.56 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.386 -0.821 . . . . 0.0 110.421 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -64.18 159.53 20.42 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.053 -1.029 . . . . 0.0 108.752 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -82.75 -43.25 17.0 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.506 -0.746 . . . . 0.0 109.863 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.637 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.3 p -133.79 177.69 7.52 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.059 -1.026 . . . . 0.0 110.275 -179.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.3 tt -137.35 141.2 33.08 Favored Pre-proline 0 N--CA 1.502 2.161 0 O-C-N 121.754 -0.591 . . . . 0.0 109.866 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -69.62 130.67 19.91 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 CA-C-N 120.102 1.072 . . . . 0.0 110.588 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.84 134.9 13.93 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.228 -0.92 . . . . 0.0 109.462 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -77.53 117.81 19.34 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.295 -0.878 . . . . 0.0 109.002 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 57.2 mt -76.61 139.58 40.68 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.155 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.4 t -133.63 101.85 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.619 HE21 ' N ' ' A' ' 120' ' ' SER . 1.4 tm0? -55.5 130.65 43.63 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.248 -0.907 . . . . 0.0 109.013 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.619 ' N ' HE21 ' A' ' 119' ' ' GLN . 4.9 m -138.83 -179.21 5.69 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.328 -0.857 . . . . 0.0 109.779 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.4 p -119.75 160.83 21.82 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 121.593 0.711 . . . . 0.0 109.443 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.9 tp -54.94 -34.51 63.3 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.156 -0.965 . . . . 0.0 109.707 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.5 m -53.94 -45.96 71.4 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.901 -1.124 . . . . 0.0 109.143 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -55.18 -42.42 73.2 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.163 -0.961 . . . . 0.0 108.695 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.7 tp -63.19 -32.24 73.59 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.981 -1.074 . . . . 0.0 108.999 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.7 ttt-85 -63.68 -33.94 76.75 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.965 -1.084 . . . . 0.0 109.117 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 87.8 t -60.94 -34.48 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 121.158 -0.964 . . . . 0.0 108.6 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -90.28 -47.91 7.48 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.321 -0.862 . . . . 0.0 110.689 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 131' ' ' ALA . 66.3 mt -118.21 45.95 1.89 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.505 -0.747 . . . . 0.0 110.071 -178.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.44 38.52 0.1 OUTLIER Glycine 0 N--CA 1.49 2.272 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.76 -55.35 0.1 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.828 -1.395 . . . . 0.0 109.472 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 39.0 m -100.16 35.54 2.05 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.175 -0.953 . . . . 0.0 109.333 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.55 116.69 55.71 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.256 -0.903 . . . . 0.0 109.581 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -75.98 -178.69 4.55 Favored 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 121.607 1.538 . . . . 0.0 111.654 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.472 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 45.8 t0 -102.45 129.01 48.83 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.529 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 94.6 mt -91.84 137.47 32.34 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 121.482 0.658 . . . . 0.0 110.241 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 60.4 mm-40 . . . . . 0 N--CA 1.498 1.93 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.295 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.88 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.02 -175.1 4.83 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.194 -0.941 . . . . 0.0 109.761 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.518 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 86.6 t -76.02 144.66 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.543 -0.723 . . . . 0.0 109.08 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 14.7 m-70 -151.82 140.91 21.24 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.304 -0.872 . . . . 0.0 109.702 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -81.32 95.79 7.1 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.1 p -88.87 123.38 67.75 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 121.109 -0.994 . . . . 0.0 109.16 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.643 ' HA ' HG22 ' A' ' 112' ' ' THR . 72.5 Cg_exo -48.02 140.45 18.89 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 121.781 1.654 . . . . 0.0 113.373 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.66 -30.79 71.13 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.392 -0.817 . . . . 0.0 109.281 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p -62.89 -27.12 69.14 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.777 -0.577 . . . . 0.0 112.11 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.0 m -104.26 24.54 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 O-C-N 120.863 -1.148 . . . . 0.0 111.342 -178.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.582 HD13 HH12 ' A' ' 51' ' ' ARG . 61.6 mt -90.63 138.65 31.4 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.708 -1.245 . . . . 0.0 108.583 178.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 63.6 mt -107.41 123.74 62.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.609 -0.682 . . . . 0.0 109.878 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.582 HH12 HD13 ' A' ' 49' ' ' LEU . 64.1 mtt85 -132.26 96.03 20.21 Favored Pre-proline 0 N--CA 1.496 1.855 0 O-C-N 121.516 -0.74 . . . . 0.0 109.666 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.686 ' O ' HD12 ' A' ' 53' ' ' LEU . 12.3 Cg_endo -95.19 22.63 0.43 Allowed 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 123.132 2.555 . . . . 0.0 112.417 178.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.686 HD12 ' O ' ' A' ' 52' ' ' PRO . 1.3 mp -140.19 132.57 14.68 Favored Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.189 -0.944 . . . . 0.0 108.829 -178.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -75.51 167.66 26.09 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.199 1.933 . . . . 0.0 112.275 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.9 m -151.81 162.48 40.97 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.253 -0.905 . . . . 0.0 109.687 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 56' ' ' VAL . 2.5 p -107.4 121.48 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.2 mt -105.2 146.6 29.04 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-O 122.049 0.928 . . . . 0.0 110.978 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 3.7 t70 -113.14 139.82 23.51 Favored Pre-proline 0 N--CA 1.49 1.574 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.13 -22.42 16.89 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 121.965 1.777 . . . . 0.0 113.003 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.46 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -78.32 -40.69 35.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.052 -1.03 . . . . 0.0 110.422 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -75.41 -32.28 60.68 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.051 -1.03 . . . . 0.0 110.028 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.8 t -69.92 -35.72 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 120.888 -1.133 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -66.98 -40.85 87.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.178 -0.951 . . . . 0.0 108.785 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.8 t -62.51 -37.69 87.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.246 -0.909 . . . . 0.0 109.316 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.3 mt -76.23 -47.26 24.6 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.311 -0.868 . . . . 0.0 109.049 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.9 t -55.25 -30.46 24.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -76.81 -39.11 52.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.593 -0.692 . . . . 0.0 109.502 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.5 m -62.09 -47.55 84.12 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.388 -0.82 . . . . 0.0 109.618 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.3 mt -64.7 -36.34 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.586 -0.697 . . . . 0.0 110.058 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 mtp-105 -78.86 -41.56 29.63 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.063 -1.023 . . . . 0.0 111.107 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -90.32 -34.13 15.83 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.812 -1.18 . . . . 0.0 111.501 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.426 ' OD2' ' OD1' ' A' ' 74' ' ' ASP . 16.4 t70 -154.71 93.64 2.79 Favored Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 120.956 -1.09 . . . . 0.0 109.433 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -83.91 8.14 4.79 Favored 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 122.089 1.86 . . . . 0.0 113.297 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 75' ' ' SER . 1.9 p30 -87.5 -46.23 9.78 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.995 -1.065 . . . . 0.0 109.822 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.51 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 6.2 m -72.04 28.17 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.217 -0.927 . . . . 0.0 109.795 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.486 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.2 t -120.49 103.2 44.4 Favored Pre-proline 0 N--CA 1.5 2.068 0 O-C-N 121.255 -0.903 . . . . 0.0 108.657 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.529 ' O ' ' NH2' ' A' ' 101' ' ' ARG . 55.5 Cg_endo -77.3 163.03 30.61 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 121.956 1.771 . . . . 0.0 113.015 -178.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.472 ' C ' ' NH2' ' A' ' 101' ' ' ARG . 71.8 Cg_endo -76.84 171.14 18.53 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.884 2.39 . . . . 0.0 112.202 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.1 pt -108.83 167.09 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.616 -0.677 . . . . 0.0 109.431 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -90.25 131.64 35.96 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 121.292 -0.88 . . . . 0.0 109.235 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.3 t -135.83 141.85 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.436 -0.79 . . . . 0.0 108.989 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mp -89.4 141.71 28.31 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.338 -0.851 . . . . 0.0 109.043 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -121.13 113.44 20.02 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.9 mt -133.69 148.97 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.349 -0.845 . . . . 0.0 110.037 -178.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.521 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 27.7 mttp -108.12 157.6 18.14 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.808 0.813 . . . . 0.0 110.618 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.91 -173.75 36.25 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.71 -1.356 . . . . 0.0 109.71 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.18 -4.56 10.64 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.661 -0.906 . . . . 0.0 110.901 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -129.08 26.92 5.44 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.181 -0.949 . . . . 0.0 110.738 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.427 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 79.35 -14.85 14.27 Favored Glycine 0 N--CA 1.494 2.567 0 C-N-CA 119.986 -1.102 . . . . 0.0 110.925 178.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.61 109.53 0.55 Allowed Glycine 0 N--CA 1.487 2.036 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.521 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 5.9 m-20 -77.14 134.83 38.58 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.485 -1.009 . . . . 0.0 109.075 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.4 m-85 -129.8 124.35 33.14 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -101.09 122.79 44.21 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.19 -0.944 . . . . 0.0 110.059 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -113.5 132.44 55.68 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.85 136.39 54.05 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -134.49 90.84 2.71 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 130.47 -158.38 22.45 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 108.379 -1.889 . . . . 0.0 108.379 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.49 24.74 1.14 Allowed Glycine 0 N--CA 1.493 2.487 0 O-C-N 121.123 -1.222 . . . . 0.0 110.408 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 4.0 m -56.21 -50.31 71.6 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.894 -1.356 . . . . 0.0 110.033 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -63.51 -53.9 44.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.061 -1.024 . . . . 0.0 109.918 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.529 ' NH2' ' O ' ' A' ' 77' ' ' PRO . 42.9 mtp180 -53.49 -31.54 46.39 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.929 -1.107 . . . . 0.0 109.182 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 102' ' ' TYR . 6.3 t80 -69.57 -39.79 77.15 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.167 -0.958 . . . . 0.0 108.687 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.74 87.68 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.34 -0.85 . . . . 0.0 110.002 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.49 -44.89 85.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.115 -0.991 . . . . 0.0 109.617 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -70.14 -41.81 73.4 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.164 -0.96 . . . . 0.0 109.177 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -31.1 71.53 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.236 -0.915 . . . . 0.0 109.33 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.453 ' C ' ' H ' ' A' ' 109' ' ' GLN . 18.3 tm0? -71.95 -45.68 60.22 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.422 -0.799 . . . . 0.0 109.521 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.58 12.78 0.22 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.316 -0.865 . . . . 0.0 109.92 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.453 ' H ' ' C ' ' A' ' 107' ' ' GLN . 25.9 mt-30 45.38 32.66 1.09 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.289 -0.882 . . . . 0.0 110.368 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 64.2 mmt-85 -63.54 159.53 18.5 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.98 -1.075 . . . . 0.0 108.699 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' A' ' 111' ' ' GLU . 19.2 mp0 -81.55 -41.59 21.4 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.502 -0.749 . . . . 0.0 110.305 -179.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.643 HG22 ' HA ' ' A' ' 45' ' ' PRO . 34.9 p -134.4 177.18 7.96 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.029 -1.044 . . . . 0.0 110.265 -179.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.1 tt -139.05 141.01 28.53 Favored Pre-proline 0 N--CA 1.502 2.157 0 O-C-N 121.625 -0.672 . . . . 0.0 109.817 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.12 131.41 23.59 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 CA-C-N 120.006 1.038 . . . . 0.0 110.51 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.5 134.8 15.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.107 -0.996 . . . . 0.0 109.867 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -78.29 116.77 18.96 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.481 -0.762 . . . . 0.0 109.065 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 53.5 mt -79.14 137.65 37.56 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.061 -1.025 . . . . 0.0 109.5 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 58.5 t -130.43 104.76 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 120' ' ' SER . 1.6 tm0? -60.45 126.28 26.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.317 -0.864 . . . . 0.0 108.75 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.527 ' O ' ' NE2' ' A' ' 119' ' ' GLN . 5.6 m -135.19 -179.26 5.52 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.349 -0.845 . . . . 0.0 109.658 -179.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.9 p -118.04 160.92 20.68 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.4 tp -54.73 -36.77 65.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.976 -1.077 . . . . 0.0 109.769 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 11.6 t -54.72 -46.25 74.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.877 -1.139 . . . . 0.0 109.325 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -55.23 -41.82 72.57 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.159 -0.963 . . . . 0.0 108.695 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 125' ' ' LEU . 6.7 tp -63.54 -31.77 73.03 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.068 -1.02 . . . . 0.0 109.229 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 130' ' ' GLY . 25.9 ttt85 -61.31 -37.9 84.89 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.678 -1.264 . . . . 0.0 108.832 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.3 t -57.85 -35.84 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -89.96 -48.67 7.06 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.295 -0.878 . . . . 0.0 110.749 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 131' ' ' ALA . 96.3 mt -115.15 44.07 1.89 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.471 -0.768 . . . . 0.0 110.019 -178.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -64.94 38.32 0.1 Allowed Glycine 0 N--CA 1.49 2.234 0 N-CA-C 110.391 -1.084 . . . . 0.0 110.391 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.53 -57.2 0.11 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.787 -1.419 . . . . 0.0 109.562 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 70.8 m -98.72 37.16 1.54 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.102 -0.999 . . . . 0.0 109.276 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.74 116.77 58.33 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.327 -0.858 . . . . 0.0 109.628 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -78.6 -178.83 4.92 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 121.805 1.67 . . . . 0.0 111.95 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.511 ' C ' HE21 ' A' ' 137' ' ' GLN . 40.9 t0 -101.16 114.58 28.67 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.526 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 94.1 mt -81.94 136.85 35.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.402 -0.811 . . . . 0.0 110.525 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 57.3 mm-40 . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 117.899 -1.048 . . . . 0.0 109.084 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.77 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.81 -175.01 5.13 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.263 -0.898 . . . . 0.0 109.769 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.503 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 87.4 t -75.67 144.21 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.487 -0.758 . . . . 0.0 109.088 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.503 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 13.8 m-70 -151.07 142.34 23.28 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.365 -0.835 . . . . 0.0 109.644 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -82.34 95.04 7.49 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.2 p -88.61 124.5 65.67 Favored Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 121.169 -0.957 . . . . 0.0 109.111 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.637 ' HA ' HG22 ' A' ' 112' ' ' THR . 71.5 Cg_exo -47.9 140.66 17.94 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 121.78 1.653 . . . . 0.0 113.464 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.66 -32.76 74.29 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.831 0.824 . . . . 0.0 109.417 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.2 p -62.25 -27.85 69.29 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.827 -0.546 . . . . 0.0 112.275 -177.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.0 m -101.62 25.28 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 120.833 -1.167 . . . . 0.0 111.462 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 49' ' ' LEU . 71.1 mt -89.62 131.28 35.7 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.67 -1.268 . . . . 0.0 108.525 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.1 mt -98.3 116.93 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.368 -0.832 . . . . 0.0 109.816 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -133.57 95.19 18.08 Favored Pre-proline 0 N--CA 1.499 1.98 0 O-C-N 121.527 -0.733 . . . . 0.0 109.801 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.667 ' O ' HD12 ' A' ' 53' ' ' LEU . 16.5 Cg_endo -98.28 32.67 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 123.195 2.597 . . . . 0.0 111.924 178.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 52' ' ' PRO . 1.2 mp -140.99 137.79 17.35 Favored Pre-proline 0 N--CA 1.5 2.027 0 O-C-N 121.044 -1.035 . . . . 0.0 108.969 -179.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -75.04 167.38 27.14 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.221 1.947 . . . . 0.0 111.853 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.8 m -155.58 160.12 40.22 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.109 -0.994 . . . . 0.0 109.893 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.459 ' O ' ' CG1' ' A' ' 56' ' ' VAL . 2.6 p -108.4 118.0 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.3 mt -98.12 145.71 26.3 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 122.277 1.037 . . . . 0.0 111.035 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -103.28 134.07 19.97 Favored Pre-proline 0 C--N 1.299 -1.611 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 178.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.529 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 77.1 Cg_endo -75.4 -17.74 18.46 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 121.949 1.766 . . . . 0.0 113.199 -178.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.541 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -87.07 -42.85 12.74 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.922 -1.111 . . . . 0.0 110.185 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -70.24 -31.38 68.76 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.217 -0.927 . . . . 0.0 109.786 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.65 -53.43 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.949 -1.094 . . . . 0.0 109.093 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 59' ' ' PRO . 1.5 mt-30 -56.54 -39.17 72.96 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.201 -0.937 . . . . 0.0 108.786 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.5 t -61.41 -39.22 89.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.333 -0.854 . . . . 0.0 109.225 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 mt -73.36 -47.12 44.83 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.235 -0.916 . . . . 0.0 108.696 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.9 t -54.37 -35.02 29.45 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -76.05 -33.78 59.59 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.469 -0.77 . . . . 0.0 109.365 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.8 m -67.27 -51.37 53.67 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.213 -0.929 . . . . 0.0 109.258 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.547 ' CG2' HH12 ' A' ' 110' ' ' ARG . 15.5 mt -58.4 -40.9 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.402 -0.812 . . . . 0.0 109.227 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -76.68 -33.09 58.28 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.215 -0.928 . . . . 0.0 110.199 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -86.27 -36.23 19.48 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.915 -1.116 . . . . 0.0 110.027 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -158.53 100.53 1.69 Allowed Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.253 -0.904 . . . . 0.0 109.556 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.49 -9.0 22.48 Favored 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 121.505 1.47 . . . . 0.0 113.245 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.405 ' C ' ' H ' ' A' ' 76' ' ' VAL . 15.4 m-20 -86.23 -29.29 23.26 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.826 -1.171 . . . . 0.0 110.43 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 p -77.97 20.86 0.34 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.847 -1.158 . . . . 0.0 109.514 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.405 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.1 t -129.27 102.7 18.49 Favored Pre-proline 0 N--CA 1.498 1.959 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -76.91 162.36 32.29 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.833 1.688 . . . . 0.0 113.101 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.79 170.16 20.7 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.854 2.369 . . . . 0.0 112.039 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.654 ' CG2' ' HE ' ' A' ' 101' ' ' ARG . 7.7 pt -108.03 167.45 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.639 -0.663 . . . . 0.0 109.784 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -89.1 134.1 34.13 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 37.3 t -138.06 139.45 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.339 -0.851 . . . . 0.0 109.265 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.3 mt -86.92 133.15 33.63 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.401 -0.812 . . . . 0.0 109.849 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.44 ' NE1' ' OD1' ' A' ' 91' ' ' ASP . 11.3 t90 -110.78 111.36 22.48 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 84' ' ' ILE . 25.6 mt -129.28 145.76 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 121.369 -0.832 . . . . 0.0 109.863 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.501 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 38.8 mttp -108.57 157.14 18.75 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.616 0.722 . . . . 0.0 109.674 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.55 -168.19 31.22 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.41 -7.13 34.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.683 -0.892 . . . . 0.0 110.778 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -129.81 33.4 4.43 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.01 -1.056 . . . . 0.0 110.77 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.04 -14.26 3.91 Favored Glycine 0 N--CA 1.495 2.587 0 C-N-CA 120.234 -0.984 . . . . 0.0 111.301 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -47.86 108.4 0.34 Allowed Glycine 0 N--CA 1.487 2.037 0 O-C-N 120.849 -1.383 . . . . 0.0 109.693 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.501 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 7.1 m-20 -77.57 135.02 38.13 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.39 -1.065 . . . . 0.0 108.815 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 98.4 m-85 -128.64 126.63 40.58 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -103.08 123.0 45.83 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.227 -0.921 . . . . 0.0 110.356 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -108.2 126.39 52.74 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.794 -0.566 . . . . 0.0 109.483 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.75 119.44 36.04 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -120.02 86.27 2.53 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 177.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 136.0 -151.83 20.85 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 108.389 -1.885 . . . . 0.0 108.389 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.76 15.29 0.1 OUTLIER Glycine 0 N--CA 1.494 2.507 0 O-C-N 121.173 -1.193 . . . . 0.0 110.132 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' A' ' 97' ' ' GLY . 5.3 m -51.23 -48.88 61.98 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -1.187 . . . . 0.0 110.125 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -66.18 -54.33 26.58 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.122 -0.986 . . . . 0.0 109.994 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.654 ' HE ' ' CG2' ' A' ' 79' ' ' ILE . 80.2 mtm-85 -53.62 -30.76 44.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.961 -1.087 . . . . 0.0 109.578 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -65.79 -43.7 87.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.025 -1.047 . . . . 0.0 108.729 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.14 96.96 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.289 -0.882 . . . . 0.0 109.626 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.3 -48.07 81.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.173 -0.954 . . . . 0.0 109.683 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -66.9 -42.53 85.32 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.165 -0.96 . . . . 0.0 108.888 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.43 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -62.55 -44.56 96.03 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.297 -0.877 . . . . 0.0 109.052 179.782 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.479 ' C ' ' H ' ' A' ' 109' ' ' GLN . 18.2 tm0? -59.46 -46.12 89.68 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.497 -0.752 . . . . 0.0 109.692 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.28 9.11 0.36 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.187 -0.946 . . . . 0.0 109.589 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 107' ' ' GLN . 17.1 tp60 48.0 37.66 8.08 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.275 -0.891 . . . . 0.0 109.874 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.547 HH12 ' CG2' ' A' ' 69' ' ' ILE . 22.2 mmt85 -73.57 154.18 39.91 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.076 -1.015 . . . . 0.0 108.54 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -78.76 -41.55 30.37 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.321 -0.862 . . . . 0.0 110.351 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.637 HG22 ' HA ' ' A' ' 45' ' ' PRO . 36.4 p -132.1 177.49 7.52 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.093 -1.005 . . . . 0.0 110.675 -178.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.7 tt -139.0 141.52 30.39 Favored Pre-proline 0 N--CA 1.501 2.114 0 O-C-N 121.725 -0.609 . . . . 0.0 109.745 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -68.29 130.78 21.9 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 CA-C-N 120.042 1.051 . . . . 0.0 110.706 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -149.86 134.13 17.27 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.224 -0.923 . . . . 0.0 109.575 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -78.88 112.19 15.8 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.483 -0.761 . . . . 0.0 108.96 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 57.3 mt -74.3 138.98 43.91 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.033 -1.042 . . . . 0.0 108.745 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 57.2 t -135.07 103.85 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.458 -0.776 . . . . 0.0 109.303 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.608 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.5 mp0 -46.07 135.98 7.08 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.273 -0.892 . . . . 0.0 109.609 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -143.89 -179.07 6.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.248 -0.908 . . . . 0.0 109.444 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.7 p -128.18 160.62 31.48 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.603 -0.686 . . . . 0.0 109.276 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.3 tp -54.7 -33.7 61.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.162 -0.961 . . . . 0.0 109.703 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.7 t -55.9 -44.2 78.01 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.948 -1.095 . . . . 0.0 109.463 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -58.69 -41.47 86.33 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.038 -1.039 . . . . 0.0 108.899 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.46 -38.35 89.47 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.044 -1.035 . . . . 0.0 109.136 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 130' ' ' GLY . 18.8 ttp180 -58.73 -37.56 76.44 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.051 -1.031 . . . . 0.0 108.743 179.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 83.3 t -56.7 -34.71 43.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.086 -1.009 . . . . 0.0 108.509 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -90.54 -48.37 7.13 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.282 -0.886 . . . . 0.0 110.833 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 131' ' ' ALA . 80.0 mt -115.98 44.19 1.98 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.444 -0.785 . . . . 0.0 110.317 -178.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -65.1 39.36 0.11 Allowed Glycine 0 N--CA 1.49 2.255 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.36 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.74 -57.2 0.13 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.845 -1.386 . . . . 0.0 109.483 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.2 p -99.7 35.79 1.93 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.158 -0.964 . . . . 0.0 109.288 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.8 118.52 70.92 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.303 -0.873 . . . . 0.0 109.788 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -80.48 -175.12 2.54 Favored 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 121.928 1.752 . . . . 0.0 111.291 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.518 ' OD1' ' NE2' ' A' ' 137' ' ' GLN . 43.4 t0 -105.0 128.33 53.26 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.749 0.785 . . . . 0.0 108.929 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.526 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.9 mt -89.64 137.67 32.13 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 121.485 0.659 . . . . 0.0 110.247 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 60.1 mm-40 . . . . . 0 N--CA 1.497 1.895 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.315 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.236 0.541 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -138.74 -175.06 4.0 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.359 -0.838 . . . . 0.0 109.355 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.516 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 90.6 t -75.47 143.29 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.388 -0.82 . . . . 0.0 109.292 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.516 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 15.7 m-70 -151.88 142.24 22.49 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.353 -0.842 . . . . 0.0 109.628 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -81.15 96.26 7.15 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.2 p -90.64 125.64 58.77 Favored Pre-proline 0 N--CA 1.498 1.975 0 O-C-N 121.182 -0.948 . . . . 0.0 109.052 -179.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.639 ' HA ' HG22 ' A' ' 112' ' ' THR . 75.4 Cg_exo -47.92 141.01 17.5 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 121.869 1.713 . . . . 0.0 113.677 -179.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mt -66.81 -33.57 75.9 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.876 0.846 . . . . 0.0 109.369 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.1 p -60.95 -27.59 68.36 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.838 -0.539 . . . . 0.0 112.175 -177.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 m -102.59 25.85 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 120.847 -1.158 . . . . 0.0 111.545 -178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 49' ' ' LEU . 72.5 mt -91.38 127.61 36.88 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.674 -1.266 . . . . 0.0 108.672 178.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.0 mt -96.46 119.19 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.262 -0.899 . . . . 0.0 110.397 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -133.85 95.15 17.61 Favored Pre-proline 0 N--CA 1.494 1.729 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -97.96 27.97 0.17 Allowed 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 122.965 2.443 . . . . 0.0 111.679 178.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 53' ' ' LEU . 14.2 tp -142.48 87.8 9.13 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.266 -0.896 . . . . 0.0 109.649 -178.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -47.79 169.28 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.551 2.167 . . . . 0.0 112.339 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -156.85 165.52 35.97 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.919 . . . . 0.0 109.816 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 56' ' ' VAL . 2.8 p -96.98 117.84 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.3 mt -100.46 146.14 27.4 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 122.14 0.971 . . . . 0.0 110.865 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -101.2 132.85 21.4 Favored Pre-proline 0 C--N 1.299 -1.626 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 178.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -75.6 -17.07 18.55 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 121.975 1.783 . . . . 0.0 113.193 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.529 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -86.97 -43.1 12.62 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.983 -1.073 . . . . 0.0 110.012 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.415 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 6.3 tttm -70.08 -31.53 69.16 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.24 -0.912 . . . . 0.0 109.797 -179.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.73 -50.68 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.911 -1.118 . . . . 0.0 108.997 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -51.16 -46.75 62.16 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.238 -0.914 . . . . 0.0 109.211 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.5 t -53.53 -40.9 65.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.271 -0.893 . . . . 0.0 109.313 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.587 ' CD2' HH21 ' A' ' 101' ' ' ARG . 5.1 mt -69.23 -46.33 67.61 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.5 t -55.35 -30.37 25.22 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.93 -35.74 59.63 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.484 -0.76 . . . . 0.0 109.875 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.1 m -68.0 -46.69 70.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.07 -1.019 . . . . 0.0 109.298 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.4 mt -62.96 -39.5 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.405 -0.809 . . . . 0.0 109.318 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 -76.87 -34.93 57.77 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.251 -0.906 . . . . 0.0 110.255 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -87.07 -35.27 18.81 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.892 -1.13 . . . . 0.0 110.43 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -155.81 96.53 2.35 Favored Pre-proline 0 N--CA 1.493 1.707 0 O-C-N 121.092 -1.005 . . . . 0.0 109.743 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.71 -3.33 13.73 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 121.588 1.526 . . . . 0.0 112.88 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -91.19 -30.04 16.89 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.921 -1.112 . . . . 0.0 110.843 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.0 m -81.96 22.43 0.78 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.669 -1.27 . . . . 0.0 109.571 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.84 104.11 47.33 Favored Pre-proline 0 N--CA 1.498 1.973 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -75.67 162.23 35.68 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 121.744 1.629 . . . . 0.0 113.045 -178.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.3 172.29 16.62 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.903 2.402 . . . . 0.0 112.187 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 pt -112.12 165.54 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -87.24 134.15 33.58 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.262 -0.899 . . . . 0.0 108.857 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.6 t -137.68 138.14 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.354 -0.841 . . . . 0.0 109.395 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.9 mt -87.33 137.75 32.07 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.537 -0.727 . . . . 0.0 110.008 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -114.8 108.42 16.73 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.405 HG21 HD13 ' A' ' 84' ' ' ILE . 29.0 mt -126.24 146.03 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.366 -0.834 . . . . 0.0 109.957 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.74 ' HZ1' ' CG ' ' A' ' 91' ' ' ASP . 34.6 mttp -108.71 157.21 18.75 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 121.669 0.747 . . . . 0.0 109.788 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.23 -164.5 29.75 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.06 -7.14 44.34 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.635 -0.92 . . . . 0.0 110.9 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.431 ' C ' ' H ' ' A' ' 90' ' ' GLY . 36.9 mt-30 -130.47 40.19 3.54 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 121.025 -1.047 . . . . 0.0 110.666 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.89 -10.33 0.35 Allowed Glycine 0 N--CA 1.495 2.577 0 O-C-N 121.214 -0.929 . . . . 0.0 111.732 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.539 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.04 108.82 0.39 Allowed Glycine 0 N--CA 1.487 2.036 0 O-C-N 120.758 -1.437 . . . . 0.0 109.51 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.74 ' CG ' ' HZ1' ' A' ' 85' ' ' LYS . 3.8 m-20 -76.49 130.92 38.64 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.458 -1.025 . . . . 0.0 109.21 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.539 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 94.2 m-85 -127.98 124.92 38.43 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -100.18 117.24 34.01 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.203 -0.936 . . . . 0.0 110.084 -178.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -103.98 134.1 47.82 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.63 133.33 52.27 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.531 -0.73 . . . . 0.0 109.225 179.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -132.5 90.15 2.75 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 178.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 136.52 -159.86 24.59 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 107.838 -2.105 . . . . 0.0 107.838 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.34 25.2 1.16 Allowed Glycine 0 N--CA 1.495 2.582 0 O-C-N 121.107 -1.231 . . . . 0.0 110.321 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.5 m -61.76 -56.61 17.68 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.067 -1.255 . . . . 0.0 109.877 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -60.22 -37.6 80.8 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.128 -0.983 . . . . 0.0 109.766 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.587 HH21 ' CD2' ' A' ' 65' ' ' LEU . 11.7 ttm180 -67.66 -29.92 69.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.894 -1.129 . . . . 0.0 109.477 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -66.3 -43.01 87.47 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.015 -1.053 . . . . 0.0 108.861 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.19 -45.22 91.64 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.354 -0.842 . . . . 0.0 109.717 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.66 -40.73 84.31 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.145 -0.972 . . . . 0.0 109.286 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -72.08 -42.88 65.65 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.227 -0.921 . . . . 0.0 109.016 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -61.14 -51.25 69.86 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 121.176 -0.953 . . . . 0.0 109.467 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -54.64 -40.99 69.54 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.395 -0.815 . . . . 0.0 109.878 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.7 mt -72.96 7.0 2.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 109.586 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 47.09 35.3 3.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.299 -0.875 . . . . 0.0 110.0 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -69.39 156.8 38.23 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.081 -1.012 . . . . 0.0 108.618 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -82.04 -42.14 19.69 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.352 -0.842 . . . . 0.0 110.581 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.639 HG22 ' HA ' ' A' ' 45' ' ' PRO . 33.5 p -134.29 177.2 7.94 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.016 -1.053 . . . . 0.0 110.408 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.6 tt -140.25 141.22 25.53 Favored Pre-proline 0 N--CA 1.502 2.171 0 O-C-N 121.661 -0.649 . . . . 0.0 109.867 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -67.82 131.06 23.18 Favored 'Trans proline' 0 N--CA 1.492 1.407 0 C-N-CA 120.9 1.066 . . . . 0.0 110.646 177.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.12 133.79 13.79 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.162 -0.961 . . . . 0.0 109.526 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -77.78 120.4 22.62 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.371 -0.831 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 55.8 mt -78.54 134.64 37.24 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.165 -0.96 . . . . 0.0 108.958 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 28.1 t -126.16 105.66 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.553 ' NE2' ' N ' ' A' ' 120' ' ' SER . 0.0 OUTLIER -55.84 126.13 24.33 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 118.914 -1.115 . . . . 0.0 108.006 179.246 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.553 ' N ' ' NE2' ' A' ' 119' ' ' GLN . 5.6 m -133.47 -178.37 4.96 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.284 -0.885 . . . . 0.0 109.927 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.1 p -126.72 160.85 29.61 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.47 -0.769 . . . . 0.0 109.299 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.6 tp -54.34 -33.63 59.41 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.922 -1.111 . . . . 0.0 109.481 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.0 m -55.92 -43.21 77.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.946 -1.096 . . . . 0.0 109.206 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -57.71 -42.07 82.99 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.058 -1.026 . . . . 0.0 108.58 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.61 -32.77 74.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.126 -0.984 . . . . 0.0 109.473 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -32.22 73.7 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.776 -1.202 . . . . 0.0 108.767 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.63 -34.55 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 O-C-N 121.008 -1.058 . . . . 0.0 108.451 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -90.37 -47.77 7.53 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.278 -0.889 . . . . 0.0 110.679 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 131' ' ' ALA . 58.9 mt -118.09 46.65 1.74 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.574 -0.704 . . . . 0.0 110.223 -178.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.57 38.34 0.1 OUTLIER Glycine 0 N--CA 1.49 2.283 0 C-N-CA 119.939 -1.124 . . . . 0.0 110.345 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -155.65 -54.1 0.09 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.852 -1.381 . . . . 0.0 109.446 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.4 m -99.58 36.48 1.77 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.153 -0.967 . . . . 0.0 109.42 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.91 117.86 68.54 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.288 -0.882 . . . . 0.0 109.481 -179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -80.4 -175.06 2.5 Favored 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.974 1.783 . . . . 0.0 111.596 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.467 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 48.7 t0 -104.02 128.61 51.6 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.739 0.78 . . . . 0.0 108.979 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.533 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.9 mt -91.39 138.7 31.37 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-O 121.506 0.67 . . . . 0.0 110.401 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.533 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 59.1 mm-40 . . . . . 0 N--CA 1.496 1.858 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.275 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.842 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.48 -175.12 4.65 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.213 -0.929 . . . . 0.0 109.559 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.505 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 91.6 t -75.58 143.45 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.444 -0.785 . . . . 0.0 109.192 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.505 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 14.9 m-70 -151.5 143.0 23.55 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.37 -0.831 . . . . 0.0 109.651 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -82.41 96.14 7.88 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.1 p -89.74 125.11 62.12 Favored Pre-proline 0 N--CA 1.498 1.953 0 O-C-N 121.139 -0.976 . . . . 0.0 109.126 -179.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.638 ' HA ' HG22 ' A' ' 112' ' ' THR . 73.0 Cg_exo -48.31 140.36 20.56 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 121.756 1.637 . . . . 0.0 113.55 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -66.45 -32.21 73.43 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.802 0.81 . . . . 0.0 109.298 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.4 p -62.28 -27.25 68.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.871 -0.518 . . . . 0.0 112.308 -177.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.4 m -103.09 25.81 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.26 0 O-C-N 120.778 -1.202 . . . . 0.0 111.467 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 49' ' ' LEU . 70.0 mt -90.07 138.36 31.58 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.646 -1.284 . . . . 0.0 108.512 178.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.6 mt -105.97 116.79 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.49 -0.756 . . . . 0.0 109.867 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -133.38 96.26 17.32 Favored Pre-proline 0 N--CA 1.495 1.814 0 O-C-N 121.634 -0.666 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -96.92 28.55 0.19 Allowed 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 122.97 2.447 . . . . 0.0 111.551 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tt -140.28 105.33 6.59 Favored Pre-proline 0 N--CA 1.498 1.945 0 O-C-N 121.311 -0.868 . . . . 0.0 109.476 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.53 165.25 30.89 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 121.502 1.468 . . . . 0.0 112.009 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 m -153.94 167.79 28.57 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.996 -1.065 . . . . 0.0 109.958 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.7 t -95.32 109.46 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 72.6 mt -88.37 146.62 25.16 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.117 0.961 . . . . 0.0 110.87 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -96.9 131.69 27.37 Favored Pre-proline 0 C--N 1.298 -1.66 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -75.75 -16.69 18.47 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 121.998 1.799 . . . . 0.0 113.132 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.535 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -86.8 -43.15 12.73 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.003 -1.061 . . . . 0.0 109.999 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -70.1 -31.74 69.45 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.226 -0.921 . . . . 0.0 109.687 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.49 -35.96 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.952 -1.093 . . . . 0.0 109.125 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -66.08 -38.72 88.99 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.157 -0.965 . . . . 0.0 108.743 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.7 t -61.47 -37.76 84.77 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.27 -0.894 . . . . 0.0 109.276 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mt -73.25 -46.66 48.73 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.1 t -55.67 -30.04 26.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -76.2 -38.76 56.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.558 -0.714 . . . . 0.0 109.561 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.9 m -64.31 -51.35 63.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.374 -0.829 . . . . 0.0 109.332 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.6 mt -58.55 -40.69 79.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.414 -0.804 . . . . 0.0 109.338 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.614 ' HE ' ' CD2' ' A' ' 108' ' ' LEU . 50.6 mtt-85 -77.03 -31.67 56.47 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.258 -0.901 . . . . 0.0 110.396 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -87.26 -36.74 17.75 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.86 -1.15 . . . . 0.0 110.066 -179.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -155.68 94.26 2.54 Favored Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.233 -0.917 . . . . 0.0 109.667 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.13 -13.54 28.58 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.54 1.493 . . . . 0.0 113.189 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -93.08 2.01 56.95 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.815 -1.178 . . . . 0.0 110.047 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.3 t -106.47 19.31 20.69 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.313 -0.867 . . . . 0.0 109.518 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.9 t -124.22 115.5 27.37 Favored Pre-proline 0 N--CA 1.501 2.104 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -75.34 162.34 36.4 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 121.675 1.584 . . . . 0.0 113.141 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.53 170.56 19.7 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.802 2.335 . . . . 0.0 112.087 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.411 HG22 ' NH2' ' A' ' 101' ' ' ARG . 7.4 pt -109.78 167.38 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.696 -0.627 . . . . 0.0 109.508 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -90.35 137.0 32.71 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.275 -0.89 . . . . 0.0 108.797 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.1 t -138.28 138.58 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.33 -0.856 . . . . 0.0 109.576 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.9 mt -86.86 132.64 33.77 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.441 -0.787 . . . . 0.0 109.184 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -113.43 111.93 22.77 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.414 HG21 HD13 ' A' ' 84' ' ' ILE . 21.2 mt -128.64 145.0 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.45 -0.781 . . . . 0.0 109.933 -178.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.529 ' HZ1' ' CG ' ' A' ' 91' ' ' ASP . 5.0 tttp -105.25 156.89 17.7 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.633 -0.667 . . . . 0.0 109.512 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.37 -168.81 31.57 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.49 -7.89 50.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.659 -0.906 . . . . 0.0 111.013 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -126.09 25.7 6.67 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.054 -1.029 . . . . 0.0 110.554 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.443 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 80.62 -12.72 32.88 Favored Glycine 0 N--CA 1.494 2.501 0 O-C-N 121.074 -1.016 . . . . 0.0 111.173 178.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.524 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -51.02 111.15 1.16 Allowed Glycine 0 N--CA 1.485 1.962 0 O-C-N 120.913 -1.346 . . . . 0.0 109.738 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.529 ' CG ' ' HZ1' ' A' ' 85' ' ' LYS . 3.9 m-20 -77.32 133.61 38.72 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.364 -1.08 . . . . 0.0 109.098 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.524 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.0 m-85 -127.89 123.75 35.77 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -99.68 121.3 41.03 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.217 -0.927 . . . . 0.0 110.122 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -109.34 130.33 55.5 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.56 130.36 53.47 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -129.19 89.83 2.92 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 134.23 -160.37 24.12 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 108.017 -2.033 . . . . 0.0 108.017 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.76 26.78 1.98 Allowed Glycine 0 N--CA 1.493 2.481 0 O-C-N 121.151 -1.205 . . . . 0.0 110.233 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.2 m -63.95 -57.05 10.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.035 -1.273 . . . . 0.0 110.308 -179.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -56.3 -36.55 68.78 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.975 -1.078 . . . . 0.0 109.705 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.411 ' NH2' HG22 ' A' ' 79' ' ' ILE . 39.2 mtm180 -69.26 -30.9 69.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.951 -1.093 . . . . 0.0 109.59 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -65.23 -42.99 92.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.898 -1.126 . . . . 0.0 108.412 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.21 89.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.367 -0.833 . . . . 0.0 109.571 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.3 93.07 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.143 -0.973 . . . . 0.0 109.413 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -68.28 -42.71 79.12 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.174 -0.954 . . . . 0.0 108.817 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -61.6 -47.56 84.9 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.295 -0.878 . . . . 0.0 109.387 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -58.03 -42.34 85.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.358 -0.839 . . . . 0.0 109.946 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.614 ' CD2' ' HE ' ' A' ' 70' ' ' ARG . 99.9 mt -73.34 7.79 2.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.111 -0.993 . . . . 0.0 109.514 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 45.79 40.78 6.82 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.346 -0.846 . . . . 0.0 110.087 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 72.0 mmt-85 -73.97 159.4 32.79 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.013 -1.054 . . . . 0.0 108.652 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -82.26 -42.53 18.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.381 -0.824 . . . . 0.0 110.305 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.638 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.1 p -134.35 177.22 7.93 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.021 -1.049 . . . . 0.0 110.615 -178.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -140.32 141.26 25.44 Favored Pre-proline 0 N--CA 1.502 2.156 0 O-C-N 121.72 -0.613 . . . . 0.0 109.8 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -67.41 131.72 25.51 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 120.935 1.09 . . . . 0.0 110.858 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.8 133.47 13.86 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.22 -0.925 . . . . 0.0 109.54 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.408 ' HZ2' ' HB3' ' A' ' 116' ' ' LYS . 1.6 ttpp -77.55 114.22 16.17 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.444 -0.785 . . . . 0.0 108.98 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 61.0 mt -74.08 137.83 43.58 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.012 -1.055 . . . . 0.0 109.164 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.3 t -133.84 101.73 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.538 HE21 ' N ' ' A' ' 120' ' ' SER . 1.5 tm0? -54.03 128.01 28.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.268 -0.895 . . . . 0.0 108.919 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.538 ' N ' HE21 ' A' ' 119' ' ' GLN . 4.5 m -133.79 -178.3 4.95 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.413 -0.804 . . . . 0.0 109.591 -179.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.7 p -122.61 160.9 24.77 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.544 -0.723 . . . . 0.0 109.381 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.7 tp -55.91 -35.72 66.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.031 -1.043 . . . . 0.0 109.72 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 69.8 m -55.4 -38.06 68.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.928 -1.107 . . . . 0.0 109.584 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -64.85 -44.68 88.97 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.006 -1.059 . . . . 0.0 108.601 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.0 tp -59.27 -39.11 81.85 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.075 -1.016 . . . . 0.0 109.037 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 130' ' ' GLY . 1.0 OUTLIER -56.3 -40.93 75.12 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.229 -0.919 . . . . 0.0 108.82 179.206 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 97.7 t -53.44 -33.56 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.075 -1.015 . . . . 0.0 108.481 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -90.37 -48.58 7.04 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.28 -0.887 . . . . 0.0 111.008 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 131' ' ' ALA . 75.5 mt -116.96 44.28 2.1 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.451 -0.78 . . . . 0.0 110.758 -177.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -64.14 39.54 0.09 OUTLIER Glycine 0 N--CA 1.489 2.186 0 C-N-CA 119.798 -1.191 . . . . 0.0 110.548 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.97 -58.05 0.13 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.813 -1.404 . . . . 0.0 109.458 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 34.1 m -99.43 37.72 1.53 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.121 -0.987 . . . . 0.0 109.245 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -76.8 119.42 77.37 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 109.879 -179.305 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -80.56 -174.87 2.42 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.971 1.781 . . . . 0.0 111.266 178.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.474 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 42.8 t0 -106.09 128.9 54.19 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.717 0.77 . . . . 0.0 109.01 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.529 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 92.5 mt -88.53 136.35 33.03 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-O 121.43 0.633 . . . . 0.0 110.264 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 62.2 mm-40 . . . . . 0 N--CA 1.496 1.828 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.187 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.42 -175.11 4.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.228 -0.92 . . . . 0.0 109.615 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.413 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 95.1 t -82.55 143.8 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.468 -0.77 . . . . 0.0 109.085 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.413 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 25.3 m-70 -148.35 162.22 39.98 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.29 -0.881 . . . . 0.0 109.729 -179.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -99.31 94.43 6.45 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.1 p -87.63 127.02 59.89 Favored Pre-proline 0 N--CA 1.497 1.915 0 O-C-N 121.285 -0.884 . . . . 0.0 109.406 -178.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.646 ' HA ' HG22 ' A' ' 112' ' ' THR . 75.4 Cg_exo -47.96 140.44 18.61 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 121.761 1.64 . . . . 0.0 113.592 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mt -66.72 -32.36 73.61 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.783 0.801 . . . . 0.0 109.331 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.9 p -61.67 -28.21 69.23 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.824 -0.547 . . . . 0.0 112.214 -177.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.0 m -101.45 25.43 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 O-C-N 120.871 -1.143 . . . . 0.0 111.469 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.486 HD13 HH12 ' A' ' 51' ' ' ARG . 72.7 mt -91.76 127.54 37.25 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.663 -1.273 . . . . 0.0 108.71 178.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.7 mt -96.89 118.61 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.365 -0.834 . . . . 0.0 110.503 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.486 HH12 HD13 ' A' ' 49' ' ' LEU . 78.1 mtt85 -134.06 94.78 17.73 Favored Pre-proline 0 N--CA 1.495 1.794 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -97.68 28.19 0.18 Allowed 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 123.025 2.483 . . . . 0.0 112.132 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 53' ' ' LEU . 7.8 tp -138.9 105.23 7.41 Favored Pre-proline 0 N--CA 1.5 2.047 0 O-C-N 121.291 -0.881 . . . . 0.0 109.899 -178.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -49.36 169.76 0.1 Allowed 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 121.971 1.78 . . . . 0.0 112.309 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.3 m -156.42 163.55 39.32 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.21 -0.931 . . . . 0.0 109.715 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.4 t -106.14 113.44 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.6 mt -97.13 146.05 25.41 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 122.205 1.002 . . . . 0.0 111.068 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -103.01 133.45 20.34 Favored Pre-proline 0 C--N 1.299 -1.6 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 178.588 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -75.62 -17.22 18.4 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 121.942 1.762 . . . . 0.0 113.246 -178.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.539 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -87.03 -44.15 11.79 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.933 -1.104 . . . . 0.0 110.033 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -68.62 -31.74 71.12 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.175 -0.953 . . . . 0.0 109.8 -179.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.6 t -68.08 -35.63 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.915 -1.116 . . . . 0.0 108.959 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -65.85 -36.06 82.39 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.7 t -65.98 -37.58 86.33 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.284 -0.885 . . . . 0.0 109.49 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 mt -77.0 -43.69 33.82 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.134 -0.979 . . . . 0.0 108.79 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.15 -33.17 29.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -77.1 -35.71 56.19 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.399 -0.813 . . . . 0.0 109.788 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.4 m -66.44 -51.33 57.98 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.139 -0.975 . . . . 0.0 109.391 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.0 mt -57.57 -40.71 76.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.366 -0.834 . . . . 0.0 109.18 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.444 ' NE ' HD22 ' A' ' 108' ' ' LEU . 62.2 mtt180 -76.5 -32.46 58.32 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.286 -0.884 . . . . 0.0 110.211 -179.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -85.36 -36.46 20.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.835 -1.165 . . . . 0.0 109.801 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -159.04 102.49 1.57 Allowed Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.321 -0.862 . . . . 0.0 109.41 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.41 -20.65 31.49 Favored 'Trans proline' 0 N--CA 1.499 1.805 0 C-N-CA 121.439 1.426 . . . . 0.0 113.452 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -83.47 -23.02 32.39 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.774 -1.204 . . . . 0.0 110.346 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.7 m -75.79 14.17 0.7 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.011 -1.056 . . . . 0.0 110.121 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 t -125.18 95.33 41.77 Favored Pre-proline 0 N--CA 1.501 2.078 0 O-C-N 121.452 -0.78 . . . . 0.0 109.215 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.27 156.51 7.83 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 122.641 2.228 . . . . 0.0 112.618 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -74.3 170.97 19.0 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.687 2.258 . . . . 0.0 111.682 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.445 HG22 ' NH2' ' A' ' 101' ' ' ARG . 7.6 pt -108.97 167.02 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.609 -0.682 . . . . 0.0 109.466 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -91.22 140.09 30.13 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.176 -0.952 . . . . 0.0 108.737 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.7 t -140.04 139.2 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.505 -0.747 . . . . 0.0 109.601 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.3 mt -87.39 124.71 33.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.431 -0.793 . . . . 0.0 109.505 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -103.38 112.13 24.88 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.416 HD13 HG21 ' A' ' 84' ' ' ILE . 30.6 mt -128.43 146.32 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.285 -0.884 . . . . 0.0 109.93 -178.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.516 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 27.5 mttp -108.0 157.37 18.29 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 121.595 0.712 . . . . 0.0 109.55 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.51 -170.36 31.68 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.25 -7.15 28.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.698 -0.883 . . . . 0.0 110.79 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -129.23 32.3 4.72 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.113 -0.992 . . . . 0.0 110.634 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.85 -13.44 4.22 Favored Glycine 0 N--CA 1.495 2.603 0 O-C-N 121.09 -1.006 . . . . 0.0 111.234 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -47.83 109.51 0.48 Allowed Glycine 0 N--CA 1.487 2.057 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.516 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 5.9 m-20 -76.96 133.24 39.26 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.507 -0.996 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 96.7 m-85 -128.71 127.53 42.29 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -102.92 115.51 30.74 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.248 -0.907 . . . . 0.0 110.17 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -103.5 134.0 47.59 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.08 134.01 51.51 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.503 -0.748 . . . . 0.0 109.118 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -132.88 90.42 2.76 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 133.93 -158.9 23.54 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 108.027 -2.029 . . . . 0.0 108.027 -179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.71 25.91 1.65 Allowed Glycine 0 N--CA 1.494 2.535 0 O-C-N 121.138 -1.213 . . . . 0.0 110.326 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.8 m -63.5 -56.69 14.11 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.073 -1.251 . . . . 0.0 110.07 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -55.41 -39.83 70.7 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.032 -1.042 . . . . 0.0 109.773 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.445 ' NH2' HG22 ' A' ' 79' ' ' ILE . 40.4 mtm180 -67.68 -31.33 71.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.945 -1.097 . . . . 0.0 109.464 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -65.81 -42.77 90.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.949 -1.094 . . . . 0.0 108.478 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.98 -40.36 84.59 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.307 -0.871 . . . . 0.0 109.669 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.05 87.92 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.161 -0.962 . . . . 0.0 109.559 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -70.01 -41.57 74.15 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.151 -0.968 . . . . 0.0 109.207 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.537 ' OE1' ' N ' ' A' ' 107' ' ' GLN . 3.0 tm0? -68.45 -39.08 81.6 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.23 -0.919 . . . . 0.0 108.819 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.537 ' N ' ' OE1' ' A' ' 106' ' ' GLN . 9.7 tm0? -62.73 -41.62 99.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.601 -0.687 . . . . 0.0 109.365 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.444 HD22 ' NE ' ' A' ' 70' ' ' ARG . 96.5 mt -76.65 11.34 1.7 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.255 -0.903 . . . . 0.0 109.629 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 46.17 46.65 13.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.336 -0.853 . . . . 0.0 110.314 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -79.96 159.75 26.18 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.988 -1.07 . . . . 0.0 108.527 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -82.02 -43.21 18.27 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.392 -0.818 . . . . 0.0 110.192 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.646 HG22 ' HA ' ' A' ' 45' ' ' PRO . 39.5 p -134.16 177.72 7.53 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.043 -1.036 . . . . 0.0 110.368 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.6 tt -139.76 141.84 29.19 Favored Pre-proline 0 N--CA 1.503 2.207 0 O-C-N 121.629 -0.67 . . . . 0.0 109.794 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -68.5 135.12 32.68 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 CA-C-N 120.088 1.067 . . . . 0.0 110.499 177.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.03 133.37 11.8 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.241 -0.912 . . . . 0.0 109.53 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.4 tttm -77.0 118.55 19.69 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.316 -0.865 . . . . 0.0 109.064 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 47.7 mt -79.23 137.28 37.34 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.217 -0.927 . . . . 0.0 108.609 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 75.4 t -136.7 103.9 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.434 -0.791 . . . . 0.0 109.463 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.608 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -46.47 130.24 10.96 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.256 -0.902 . . . . 0.0 109.53 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.4 m -136.13 -178.45 5.16 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.43 -0.794 . . . . 0.0 109.15 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.0 p -129.43 164.05 24.5 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.44 -0.788 . . . . 0.0 109.585 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 23.4 tp -57.22 -35.55 69.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.999 -1.063 . . . . 0.0 109.621 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.7 m -54.19 -45.06 72.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.91 -1.119 . . . . 0.0 109.237 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -55.43 -43.59 75.5 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 120.967 -1.083 . . . . 0.0 108.3 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.4 tp -63.29 -32.52 73.96 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.105 -0.997 . . . . 0.0 109.512 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -65.03 -26.8 68.42 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.675 -1.265 . . . . 0.0 109.155 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 57.6 t -67.6 -33.57 62.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.301 0 O-C-N 120.995 -1.066 . . . . 0.0 108.227 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -90.95 -47.17 7.74 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.351 -0.843 . . . . 0.0 110.864 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.551 ' O ' ' N ' ' A' ' 131' ' ' ALA . 59.0 mt -119.27 46.15 1.96 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.449 -0.782 . . . . 0.0 110.446 -177.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.02 38.74 0.11 Allowed Glycine 0 N--CA 1.49 2.263 0 C-N-CA 119.767 -1.206 . . . . 0.0 110.294 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.2 -54.46 0.1 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.842 -1.387 . . . . 0.0 109.427 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 18.5 m -100.06 35.48 2.05 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.226 -0.921 . . . . 0.0 109.346 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.73 118.57 72.63 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.291 -0.88 . . . . 0.0 109.479 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -78.88 -174.88 2.46 Favored 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 121.907 1.738 . . . . 0.0 111.63 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.512 ' C ' HE21 ' A' ' 137' ' ' GLN . 45.1 t0 -105.81 119.88 40.3 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.536 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 96.1 mt -82.11 137.79 34.92 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.555 -0.716 . . . . 0.0 110.467 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.536 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 59.8 mm-40 . . . . . 0 N--CA 1.498 1.932 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.363 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.823 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -148.3 -174.18 4.52 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.322 -0.861 . . . . 0.0 109.409 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.447 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 88.8 t -74.34 142.81 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.392 -0.818 . . . . 0.0 108.891 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 10.2 m-70 -149.62 147.56 28.27 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.391 -0.818 . . . . 0.0 109.777 -179.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -85.89 94.64 9.22 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.1 p -87.84 124.44 67.21 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.099 -1.0 . . . . 0.0 109.093 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.639 ' HA ' HG22 ' A' ' 112' ' ' THR . 71.0 Cg_exo -48.05 140.3 19.25 Favored 'Trans proline' 0 N--CA 1.499 1.852 0 C-N-CA 121.766 1.644 . . . . 0.0 113.445 -179.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.57 -31.24 71.82 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.38 -0.825 . . . . 0.0 109.314 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 p -62.88 -27.93 69.69 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.825 -0.547 . . . . 0.0 112.259 -177.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 m -102.07 23.5 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.247 0 O-C-N 120.755 -1.216 . . . . 0.0 111.397 -178.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.7 mt -91.38 124.24 35.42 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.699 -1.251 . . . . 0.0 108.839 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.2 mt -91.09 120.49 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.478 -0.764 . . . . 0.0 110.29 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.3 mtt-85 -134.88 93.64 17.37 Favored Pre-proline 0 N--CA 1.497 1.915 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -99.31 28.95 0.13 Allowed 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 123.063 2.509 . . . . 0.0 112.276 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.3 tp -138.4 104.26 7.83 Favored Pre-proline 0 N--CA 1.501 2.102 0 O-C-N 121.26 -0.9 . . . . 0.0 109.769 -178.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.32 169.44 0.15 Allowed 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 121.812 1.674 . . . . 0.0 112.176 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.6 m -158.54 163.16 37.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.953 . . . . 0.0 109.753 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.2 t -105.65 110.45 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.9 mt -92.27 145.87 24.15 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.14 -0.975 . . . . 0.0 110.933 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -101.47 134.34 20.32 Favored Pre-proline 0 C--N 1.298 -1.668 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 178.85 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -75.23 -20.14 16.7 Favored 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 122.071 1.847 . . . . 0.0 113.071 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.541 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.09 -44.96 12.54 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.983 -1.073 . . . . 0.0 110.266 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.42 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -67.85 -31.4 71.21 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.181 -0.95 . . . . 0.0 109.76 -179.126 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 58' ' ' ASP . 54.8 t -68.2 -52.73 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 120.839 -1.163 . . . . 0.0 109.074 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -50.26 -39.34 44.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.242 -0.911 . . . . 0.0 109.272 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.7 t -61.79 -38.01 86.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.282 -0.886 . . . . 0.0 109.339 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.8 mt -75.66 -47.9 24.39 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.276 -0.89 . . . . 0.0 108.728 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.6 t -56.18 -32.18 33.82 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -75.99 -35.42 59.6 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.407 -0.808 . . . . 0.0 109.428 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.4 m -67.01 -51.53 53.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.176 -0.952 . . . . 0.0 109.534 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.7 mt -58.05 -40.67 77.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.365 -0.835 . . . . 0.0 109.07 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -73.25 -32.19 64.55 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.305 -0.872 . . . . 0.0 110.56 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -91.43 -38.18 12.73 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.822 -1.174 . . . . 0.0 110.262 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -155.42 98.45 2.33 Favored Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.037 -1.039 . . . . 0.0 109.704 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.48 -3.84 14.45 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.677 1.584 . . . . 0.0 112.998 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -89.57 -27.97 19.88 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.895 -1.128 . . . . 0.0 110.8 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.9 t -84.07 23.1 1.08 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.74 -1.225 . . . . 0.0 109.631 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 t -120.68 108.72 36.91 Favored Pre-proline 0 N--CA 1.5 2.056 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -76.14 162.32 34.35 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.694 1.596 . . . . 0.0 113.092 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.23 172.88 15.5 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 122.866 2.377 . . . . 0.0 112.087 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.439 HG22 ' NH2' ' A' ' 101' ' ' ARG . 6.0 pt -111.94 165.39 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.688 -0.633 . . . . 0.0 109.335 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -89.69 137.47 32.3 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.196 -0.94 . . . . 0.0 108.864 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.4 t -138.66 138.4 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.674 -0.641 . . . . 0.0 109.303 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.2 mt -88.63 130.0 35.38 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.418 -0.801 . . . . 0.0 109.627 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -107.03 112.73 25.81 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.1 mt -128.36 141.4 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.28 -0.887 . . . . 0.0 109.91 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.593 ' HZ3' ' CG ' ' A' ' 91' ' ' ASP . 1.0 OUTLIER -101.36 156.17 17.61 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.615 -0.678 . . . . 0.0 109.255 -179.479 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.04 -171.36 31.16 Favored Glycine 0 N--CA 1.497 2.719 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.29 -12.84 61.69 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.719 -0.871 . . . . 0.0 111.002 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -120.22 22.85 11.22 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.085 -1.01 . . . . 0.0 110.189 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 81.09 -10.97 45.32 Favored Glycine 0 N--CA 1.491 2.362 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.076 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.51 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -51.01 113.62 2.3 Favored Glycine 0 N--CA 1.486 2.014 0 O-C-N 120.966 -1.314 . . . . 0.0 109.861 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.593 ' CG ' ' HZ3' ' A' ' 85' ' ' LYS . 20.3 m-20 -77.79 134.18 38.07 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.44 -1.035 . . . . 0.0 109.234 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.51 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.1 m-85 -128.78 128.98 45.04 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -106.07 122.13 45.55 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.212 -0.93 . . . . 0.0 110.234 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -106.83 136.37 46.79 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.599 -0.688 . . . . 0.0 109.181 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.1 123.42 41.52 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -129.32 88.24 2.67 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 136.43 -166.99 24.63 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 108.703 -1.759 . . . . 0.0 108.703 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 46.3 14.78 0.11 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' A' ' 97' ' ' GLY . 7.3 m -49.56 -49.55 45.85 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.059 -1.259 . . . . 0.0 109.486 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -59.99 -41.8 92.86 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.165 -0.96 . . . . 0.0 109.323 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.439 ' NH2' HG22 ' A' ' 79' ' ' ILE . 40.9 mtm180 -66.29 -31.1 71.69 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.053 -1.029 . . . . 0.0 109.291 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -66.26 -42.71 88.15 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.986 -1.071 . . . . 0.0 108.504 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.93 99.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.34 -0.85 . . . . 0.0 109.537 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.98 92.4 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.233 -0.917 . . . . 0.0 109.415 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -68.34 -42.25 79.56 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.198 -0.939 . . . . 0.0 108.85 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -62.63 -42.61 99.69 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.212 -0.93 . . . . 0.0 109.513 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -62.3 -36.29 81.68 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.312 -0.867 . . . . 0.0 109.573 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 110' ' ' ARG . 97.1 mt -80.51 16.99 1.18 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.277 -0.89 . . . . 0.0 109.488 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 41.77 26.2 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.604 -0.685 . . . . 0.0 110.864 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 108' ' ' LEU . 16.3 mmt180 -58.14 156.93 8.85 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 120.961 -1.087 . . . . 0.0 108.637 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -81.87 -41.9 20.35 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.424 -0.797 . . . . 0.0 110.34 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.639 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.1 p -134.31 177.46 7.74 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.031 -1.043 . . . . 0.0 110.349 -179.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.62 141.33 27.82 Favored Pre-proline 0 N--CA 1.503 2.184 0 O-C-N 121.661 -0.649 . . . . 0.0 109.632 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -66.98 130.92 24.06 Favored 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 120.941 1.094 . . . . 0.0 110.852 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -150.42 132.27 15.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.164 -0.96 . . . . 0.0 109.713 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -76.8 114.78 15.94 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.446 -0.784 . . . . 0.0 109.211 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 48.2 mt -79.31 133.58 36.63 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.962 -1.086 . . . . 0.0 109.079 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 57.9 t -134.53 116.27 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.617 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 4.0 mp0 -54.19 135.95 43.27 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.11 -0.994 . . . . 0.0 109.108 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.3 m -138.36 -179.57 5.87 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.26 -0.9 . . . . 0.0 109.248 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.2 p -127.84 161.82 28.13 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.613 -0.68 . . . . 0.0 109.406 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.8 tp -56.88 -36.84 70.57 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.15 -0.969 . . . . 0.0 109.819 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 35.1 t -54.26 -45.79 72.48 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.825 -1.172 . . . . 0.0 109.417 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.24 -46.92 76.03 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.146 -0.971 . . . . 0.0 108.449 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.8 tp -58.94 -38.47 79.07 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.024 -1.047 . . . . 0.0 108.962 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -56.56 -35.69 68.45 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.158 -0.964 . . . . 0.0 109.219 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 81.4 t -59.22 -33.41 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -90.51 -48.82 6.86 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.309 -0.869 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 131' ' ' ALA . 62.6 mt -116.08 44.25 1.98 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.454 -0.779 . . . . 0.0 110.302 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.65 39.18 0.1 OUTLIER Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.968 -1.111 . . . . 0.0 110.431 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.36 -58.87 0.13 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.853 -1.381 . . . . 0.0 109.618 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 17.8 m -98.65 36.43 1.65 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.998 -1.064 . . . . 0.0 109.248 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.35 119.8 77.7 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.3 -0.875 . . . . 0.0 109.969 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -79.16 -173.47 1.89 Allowed 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.95 1.767 . . . . 0.0 111.44 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.551 ' C ' HE21 ' A' ' 137' ' ' GLN . 44.5 t0 -109.24 121.79 45.92 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.529 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 94.2 mt -80.42 136.59 36.38 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.482 -0.761 . . . . 0.0 110.325 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.551 HE21 ' C ' ' A' ' 135' ' ' ASP . 61.1 mm-40 . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.222 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 121.361 0.601 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -151.43 -175.25 5.11 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.29 -0.881 . . . . 0.0 109.534 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.425 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 91.6 t -81.97 143.31 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.369 -0.832 . . . . 0.0 109.227 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.425 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 25.3 m-70 -148.85 162.45 39.8 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.374 -0.829 . . . . 0.0 109.579 -179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -99.89 94.57 6.37 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.2 p -87.6 126.79 60.72 Favored Pre-proline 0 N--CA 1.498 1.936 0 O-C-N 121.291 -0.881 . . . . 0.0 109.442 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.643 ' HA ' HG22 ' A' ' 112' ' ' THR . 73.5 Cg_exo -48.06 140.23 19.42 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 121.807 1.671 . . . . 0.0 113.503 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.45 -31.79 72.75 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.831 0.824 . . . . 0.0 109.425 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.0 p -62.81 -27.8 69.56 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.759 -0.588 . . . . 0.0 112.28 -177.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.8 m -101.97 25.38 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.242 0 O-C-N 120.788 -1.195 . . . . 0.0 111.442 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 49' ' ' LEU . 71.2 mt -90.67 128.15 36.54 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.708 -1.245 . . . . 0.0 108.56 178.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.4 mt -97.79 119.29 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.395 -0.816 . . . . 0.0 110.635 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 76.6 mtt-85 -134.15 94.9 17.34 Favored Pre-proline 0 N--CA 1.494 1.752 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -97.31 27.92 0.19 Allowed 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.959 2.439 . . . . 0.0 112.062 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.9 tp -138.51 105.1 7.69 Favored Pre-proline 0 N--CA 1.499 1.991 0 O-C-N 121.315 -0.866 . . . . 0.0 109.719 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -49.04 169.42 0.1 OUTLIER 'Trans proline' 0 N--CA 1.497 1.715 0 C-N-CA 121.917 1.745 . . . . 0.0 112.309 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.0 m -158.07 162.36 38.06 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.197 -0.939 . . . . 0.0 109.787 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 56' ' ' VAL . 2.6 p -106.4 120.28 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.5 mt -104.27 145.86 29.63 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 122.228 1.013 . . . . 0.0 111.009 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -102.47 134.4 19.97 Favored Pre-proline 0 C--N 1.298 -1.634 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.83 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -75.25 -20.25 16.55 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 122.023 1.815 . . . . 0.0 113.164 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.537 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.0 -43.75 13.68 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.021 -1.049 . . . . 0.0 110.235 -179.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.425 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 8.6 ttmt -69.44 -31.39 69.69 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.191 -0.943 . . . . 0.0 109.903 -179.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 58' ' ' ASP . 55.1 t -67.94 -46.19 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.927 -1.108 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -58.88 -36.46 74.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.092 -1.005 . . . . 0.0 108.651 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.6 t -61.45 -37.72 84.58 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.258 -0.901 . . . . 0.0 109.165 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.1 mt -74.48 -48.03 29.77 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.2 t -54.75 -30.69 22.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -76.14 -35.35 59.28 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.501 -0.749 . . . . 0.0 109.466 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.4 m -67.63 -45.54 75.07 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.229 -0.919 . . . . 0.0 109.319 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.622 ' CG2' HH12 ' A' ' 110' ' ' ARG . 11.1 mt -65.36 -38.75 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.446 -0.784 . . . . 0.0 109.515 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mtp-105 -77.13 -35.23 56.35 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.22 -0.925 . . . . 0.0 110.327 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -90.43 -32.64 16.32 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.896 -1.128 . . . . 0.0 110.552 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.422 ' OD2' ' OD2' ' A' ' 74' ' ' ASP . 24.5 t70 -158.21 96.19 1.89 Allowed Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.014 -1.054 . . . . 0.0 109.937 -179.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -78.26 2.25 8.2 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 121.771 1.647 . . . . 0.0 112.914 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' A' ' 76' ' ' VAL . 1.1 p-10 -89.65 -43.23 10.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.988 -1.07 . . . . 0.0 109.938 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.0 m -71.86 25.58 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.035 -1.041 . . . . 0.0 109.925 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.481 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.2 t -122.23 104.71 37.59 Favored Pre-proline 0 N--CA 1.499 2.013 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -79.84 160.31 24.44 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.873 1.716 . . . . 0.0 112.758 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.24 172.15 15.45 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.842 2.361 . . . . 0.0 112.111 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 pt -110.47 165.04 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.51 134.07 33.67 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.264 -0.897 . . . . 0.0 108.652 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.2 t -138.15 138.93 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.318 -0.864 . . . . 0.0 109.479 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 mt -86.2 137.57 32.54 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.5 -0.75 . . . . 0.0 109.758 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -116.27 102.97 10.03 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.3 mt -119.21 150.58 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.41 -0.806 . . . . 0.0 109.549 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.486 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 34.2 mttp -113.46 156.92 22.66 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-O 121.83 0.824 . . . . 0.0 110.322 -179.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.27 -174.81 40.58 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.48 -7.11 23.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.675 -0.897 . . . . 0.0 110.862 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -126.46 24.78 6.65 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.091 -1.005 . . . . 0.0 110.664 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.29 -13.53 39.19 Favored Glycine 0 N--CA 1.495 2.602 0 O-C-N 120.964 -1.085 . . . . 0.0 111.094 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.525 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.58 108.57 0.4 Allowed Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.486 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 19.5 m-20 -77.35 134.67 38.42 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.49 -1.006 . . . . 0.0 109.351 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.525 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.4 m-85 -129.56 127.11 40.04 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -101.78 115.97 31.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.181 -0.949 . . . . 0.0 110.07 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -103.46 134.7 46.38 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.43 134.27 51.03 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.492 -0.755 . . . . 0.0 109.018 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -133.07 90.46 2.75 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 132.49 -159.31 23.36 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 107.979 -2.049 . . . . 0.0 107.979 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.7 26.52 1.85 Allowed Glycine 0 N--CA 1.494 2.552 0 O-C-N 121.158 -1.201 . . . . 0.0 110.206 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.5 m -64.19 -56.99 10.84 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.013 -1.287 . . . . 0.0 110.163 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -54.84 -37.47 66.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.9 -1.125 . . . . 0.0 109.629 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.2 mtm180 -68.21 -30.76 69.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.049 -1.032 . . . . 0.0 109.622 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -66.67 -43.46 84.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.028 -1.045 . . . . 0.0 108.8 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.8 92.98 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.275 -0.89 . . . . 0.0 109.811 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.71 -47.48 85.08 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.108 -0.995 . . . . 0.0 109.574 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -66.77 -41.55 87.53 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.135 -0.978 . . . . 0.0 108.887 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.431 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -61.59 -47.94 83.21 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.264 -0.898 . . . . 0.0 109.479 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.467 ' C ' ' H ' ' A' ' 109' ' ' GLN . 55.4 tt0 -59.38 -41.61 89.74 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.263 -0.898 . . . . 0.0 109.786 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.2 10.98 0.36 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.246 -0.909 . . . . 0.0 109.541 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.467 ' H ' ' C ' ' A' ' 107' ' ' GLN . 45.3 mm-40 45.97 30.01 0.84 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.333 -0.854 . . . . 0.0 110.232 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.622 HH12 ' CG2' ' A' ' 69' ' ' ILE . 19.8 mmt85 -65.43 155.07 36.63 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.933 -1.104 . . . . 0.0 108.55 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -81.1 -42.2 21.34 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.381 -0.825 . . . . 0.0 110.478 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.643 HG22 ' HA ' ' A' ' 45' ' ' PRO . 39.7 p -133.44 177.68 7.5 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.026 -1.047 . . . . 0.0 110.29 -178.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.78 141.6 28.25 Favored Pre-proline 0 N--CA 1.502 2.144 0 O-C-N 121.674 -0.641 . . . . 0.0 109.715 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -67.88 135.85 36.58 Favored 'Trans proline' 0 N--CA 1.491 1.362 0 CA-C-N 120.106 1.074 . . . . 0.0 110.519 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.6 133.42 12.22 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.278 -0.889 . . . . 0.0 109.553 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -76.67 110.29 11.12 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.389 -0.819 . . . . 0.0 109.067 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 60.8 mt -71.96 137.74 47.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.917 -1.115 . . . . 0.0 108.573 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 61.5 t -136.02 104.25 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.494 -0.754 . . . . 0.0 109.451 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.607 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -46.1 133.11 9.3 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.279 -0.888 . . . . 0.0 109.601 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.1 m -138.34 178.31 7.23 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.364 -0.835 . . . . 0.0 109.226 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.536 ' H ' ' CG ' ' A' ' 124' ' ' ASP . 7.0 p -126.91 160.46 30.95 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.6 tp -53.32 -40.5 64.87 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.044 -1.035 . . . . 0.0 109.399 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 11.7 t -53.26 -40.56 64.74 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.961 -1.087 . . . . 0.0 108.613 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.536 ' CG ' ' H ' ' A' ' 121' ' ' THR . 1.8 m-20 -56.02 -39.48 72.0 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.169 -0.957 . . . . 0.0 108.732 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.1 tp -69.41 -35.22 75.52 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.18 -0.95 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 130' ' ' GLY . 19.3 ttp180 -59.09 -38.42 79.47 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.974 -1.079 . . . . 0.0 108.451 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.43 -37.13 43.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 121.206 -0.934 . . . . 0.0 108.611 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -89.54 -47.65 7.83 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.158 -0.964 . . . . 0.0 110.942 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 131' ' ' ALA . 70.0 mt -117.31 45.87 1.81 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.438 -0.789 . . . . 0.0 110.344 -178.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -64.57 39.51 0.1 OUTLIER Glycine 0 N--CA 1.49 2.26 0 C-N-CA 119.792 -1.194 . . . . 0.0 110.448 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.91 -57.17 0.12 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.797 -1.413 . . . . 0.0 109.616 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 31.8 m -99.15 37.28 1.57 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.103 -0.998 . . . . 0.0 109.374 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -77.56 118.11 69.94 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.287 -0.883 . . . . 0.0 109.824 -179.387 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -79.8 -174.3 2.21 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.939 1.76 . . . . 0.0 111.303 178.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.47 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 46.4 t0 -104.88 127.91 52.89 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.791 0.805 . . . . 0.0 109.129 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.525 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 96.7 mt -91.06 138.54 31.53 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 121.535 0.684 . . . . 0.0 110.371 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 58.7 mm-40 . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.011 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.775 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.38 -174.82 5.02 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.283 -0.886 . . . . 0.0 109.728 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.487 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 99.5 t -75.27 143.93 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.44 -0.788 . . . . 0.0 109.05 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.487 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 12.8 m-70 -150.71 162.91 39.79 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.363 -0.835 . . . . 0.0 109.564 -179.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -101.88 94.43 5.8 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.3 p -87.29 124.87 67.53 Favored Pre-proline 0 N--CA 1.497 1.913 0 O-C-N 121.2 -0.938 . . . . 0.0 109.476 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.644 ' HA ' HG22 ' A' ' 112' ' ' THR . 72.0 Cg_exo -47.75 140.07 17.98 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 121.805 1.67 . . . . 0.0 113.397 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mt -66.75 -31.47 72.14 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 121.774 0.797 . . . . 0.0 109.31 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p -62.85 -27.34 69.27 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.794 -0.566 . . . . 0.0 112.155 -177.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.5 m -103.12 24.92 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.244 0 O-C-N 120.812 -1.18 . . . . 0.0 111.339 -178.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.8 mt -90.01 134.76 34.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.631 -1.293 . . . . 0.0 108.572 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.7 mt -102.47 115.16 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.547 -0.721 . . . . 0.0 109.727 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.5 mtt-85 -133.65 94.56 18.98 Favored Pre-proline 0 N--CA 1.496 1.873 0 O-C-N 121.628 -0.67 . . . . 0.0 109.638 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -98.94 29.95 0.13 Allowed 'Trans proline' 0 C--N 1.312 -1.364 0 C-N-CA 123.152 2.568 . . . . 0.0 111.858 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.5 tt -141.18 87.74 10.52 Favored Pre-proline 0 N--CA 1.496 1.839 0 O-C-N 121.234 -0.916 . . . . 0.0 109.941 -178.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.29 169.49 0.11 Allowed 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.4 2.067 . . . . 0.0 111.875 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -159.24 165.35 33.75 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.118 -0.988 . . . . 0.0 109.995 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 56' ' ' VAL . 2.8 p -95.32 116.47 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 179.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 75.5 mt -98.77 146.22 26.13 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 122.146 0.974 . . . . 0.0 110.907 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -100.85 133.98 20.77 Favored Pre-proline 0 C--N 1.299 -1.597 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.216 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.552 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 77.3 Cg_endo -75.49 -21.51 14.9 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 121.941 1.761 . . . . 0.0 113.113 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.53 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -82.57 -40.1 21.36 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.744 -1.222 . . . . 0.0 109.964 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -73.67 -30.78 63.1 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.231 -0.918 . . . . 0.0 109.921 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 58' ' ' ASP . 75.7 t -71.92 -52.42 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.837 -1.164 . . . . 0.0 108.537 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.552 ' NE2' ' O ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -50.07 -39.8 43.42 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.602 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 57.5 m -62.6 -41.04 98.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.32 -0.862 . . . . 0.0 109.274 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.1 mt -71.03 -41.96 70.16 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.21 -0.931 . . . . 0.0 108.681 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.4 t -55.67 -36.53 42.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -76.46 -32.22 58.28 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.487 -0.758 . . . . 0.0 109.823 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.3 m -67.27 -51.82 48.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.144 -0.972 . . . . 0.0 109.593 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.1 mt -58.44 -41.12 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.388 -0.82 . . . . 0.0 109.164 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.442 ' NE ' HD22 ' A' ' 108' ' ' LEU . 58.4 mtt180 -77.15 -32.83 56.57 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.26 -0.9 . . . . 0.0 110.277 -179.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -85.46 -36.03 20.86 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.842 -1.161 . . . . 0.0 109.958 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -153.67 93.76 3.01 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.308 -0.87 . . . . 0.0 109.44 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.55 -21.26 40.11 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.389 1.393 . . . . 0.0 112.85 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -84.69 -24.99 28.72 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.896 -1.127 . . . . 0.0 110.365 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.3 t -79.08 18.08 0.69 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.941 -1.1 . . . . 0.0 109.514 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 t -124.35 112.42 27.96 Favored Pre-proline 0 N--CA 1.5 2.026 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -76.6 162.19 33.27 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 121.651 1.567 . . . . 0.0 113.016 -178.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -77.19 170.77 18.99 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.847 2.365 . . . . 0.0 112.116 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.3 pt -110.0 167.72 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.693 -0.629 . . . . 0.0 109.307 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.72 139.93 30.2 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.155 -0.965 . . . . 0.0 108.806 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.3 t -139.52 139.16 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.485 -0.76 . . . . 0.0 109.357 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.6 mt -87.18 124.46 33.31 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.357 -0.84 . . . . 0.0 109.718 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -102.27 111.37 23.63 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.405 HG21 HD13 ' A' ' 84' ' ' ILE . 18.0 mt -127.41 138.57 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.274 -0.891 . . . . 0.0 109.979 -179.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.56 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 2.6 tttp -100.51 156.16 17.44 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.662 -0.649 . . . . 0.0 109.384 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.02 -169.9 32.26 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.56 -7.16 36.08 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.676 -0.897 . . . . 0.0 110.696 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -129.84 39.8 3.65 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.098 -1.001 . . . . 0.0 110.763 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.63 -13.21 0.87 Allowed Glycine 0 N--CA 1.493 2.497 0 O-C-N 121.176 -0.953 . . . . 0.0 111.575 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.439 ' O ' ' CE1' ' A' ' 92' ' ' TYR . . . -51.75 112.25 1.8 Allowed Glycine 0 N--CA 1.485 1.955 0 O-C-N 120.781 -1.423 . . . . 0.0 109.86 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.56 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 18.7 m-20 -80.02 133.96 36.19 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.502 -0.999 . . . . 0.0 109.318 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.439 ' CE1' ' O ' ' A' ' 90' ' ' GLY . 97.0 m-85 -126.51 123.14 37.11 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -100.16 121.7 41.84 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.188 -0.945 . . . . 0.0 110.367 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -110.24 130.64 55.51 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.49 127.35 50.96 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -128.99 87.73 2.61 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 178.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 137.98 -165.71 25.32 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 108.771 -1.732 . . . . 0.0 108.771 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 46.28 14.76 0.11 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 97' ' ' GLY . 4.7 m -49.74 -52.08 34.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.048 -1.266 . . . . 0.0 109.683 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -57.59 -37.58 73.43 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.065 -1.022 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -69.18 -30.92 69.23 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.077 -1.014 . . . . 0.0 109.534 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -65.05 -42.76 93.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.028 -1.045 . . . . 0.0 108.563 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.24 95.36 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.356 -0.84 . . . . 0.0 109.534 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.65 -46.27 90.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.227 -0.921 . . . . 0.0 109.498 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -68.17 -42.72 79.61 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.277 -0.89 . . . . 0.0 108.979 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.429 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -61.02 -52.01 66.79 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.298 -0.876 . . . . 0.0 109.554 -179.757 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 16.8 tm0? -54.8 -39.57 68.59 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.355 -0.84 . . . . 0.0 110.029 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.442 HD22 ' NE ' ' A' ' 70' ' ' ARG . 95.0 mt -73.1 10.14 1.02 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.153 -0.967 . . . . 0.0 109.687 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 44.89 37.33 2.3 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.299 -0.875 . . . . 0.0 110.387 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -72.82 159.25 34.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.123 -0.985 . . . . 0.0 108.829 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -82.14 -42.74 18.67 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.453 -0.779 . . . . 0.0 110.204 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.644 HG22 ' HA ' ' A' ' 45' ' ' PRO . 39.1 p -133.2 177.5 7.62 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.046 -1.034 . . . . 0.0 110.48 -178.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.6 tt -138.17 141.25 31.37 Favored Pre-proline 0 N--CA 1.502 2.158 0 O-C-N 121.656 -0.652 . . . . 0.0 110.076 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -68.24 132.58 26.25 Favored 'Trans proline' 0 N--CA 1.491 1.376 0 CA-C-N 119.935 1.012 . . . . 0.0 110.731 177.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.04 133.8 12.98 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.197 -0.939 . . . . 0.0 109.495 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.41 111.55 13.22 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.394 -0.817 . . . . 0.0 109.025 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 57.7 mt -73.03 137.29 45.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.978 -1.076 . . . . 0.0 108.456 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 77.1 t -137.41 104.73 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.427 -0.795 . . . . 0.0 109.532 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.607 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.5 mp0 -46.1 134.06 8.62 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.218 -0.926 . . . . 0.0 109.604 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.5 m -140.01 -179.05 5.74 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.376 -0.828 . . . . 0.0 109.33 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.3 p -128.16 160.52 31.8 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.568 -0.708 . . . . 0.0 109.514 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.6 tp -55.47 -23.11 23.88 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.25 -0.906 . . . . 0.0 109.809 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 35.8 t -64.69 -48.77 73.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.918 -1.114 . . . . 0.0 109.509 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -55.08 -42.37 72.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.078 -1.014 . . . . 0.0 108.784 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.3 tp -62.18 -38.28 88.45 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 120.945 -1.097 . . . . 0.0 108.935 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -56.57 -37.34 70.44 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.183 -0.948 . . . . 0.0 109.057 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 86.4 t -58.39 -33.82 48.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.18 -0.95 . . . . 0.0 108.477 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -90.38 -48.73 6.94 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.245 -0.91 . . . . 0.0 110.994 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 131' ' ' ALA . 67.0 mt -116.08 43.32 2.17 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.466 -0.771 . . . . 0.0 110.485 -177.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.69 38.48 0.1 Allowed Glycine 0 N--CA 1.487 2.061 0 C-N-CA 119.971 -1.109 . . . . 0.0 110.433 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.41 -59.41 0.15 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.827 -1.396 . . . . 0.0 109.445 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 21.8 t -97.99 38.0 1.36 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.019 -1.05 . . . . 0.0 109.136 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.5 119.53 77.49 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.361 -0.837 . . . . 0.0 109.933 -179.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -80.97 -174.25 2.16 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.054 1.836 . . . . 0.0 111.428 178.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.468 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 45.0 t0 -107.06 130.31 54.68 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 121.74 0.781 . . . . 0.0 108.96 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.529 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 94.1 mt -90.11 136.45 33.04 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-O 121.455 0.645 . . . . 0.0 110.378 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 59.4 mm-40 . . . . . 0 N--CA 1.497 1.913 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.275 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.993 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -153.84 -174.31 4.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.269 -0.895 . . . . 0.0 109.766 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.412 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 86.2 t -75.35 142.14 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.454 -0.779 . . . . 0.0 109.016 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.412 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 10.5 m-70 -147.84 147.01 29.34 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.443 -0.786 . . . . 0.0 109.588 -179.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -85.21 95.39 9.15 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.1 p -89.39 124.48 64.35 Favored Pre-proline 0 N--CA 1.497 1.878 0 O-C-N 121.187 -0.946 . . . . 0.0 109.101 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.646 ' HA ' HG22 ' A' ' 112' ' ' THR . 83.1 Cg_exo -47.77 140.42 17.63 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 121.955 1.77 . . . . 0.0 113.7 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.5 -28.5 67.89 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.333 -0.854 . . . . 0.0 108.915 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.2 t -69.81 -15.2 63.07 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.575 -0.703 . . . . 0.0 112.496 -177.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.9 m -112.54 23.49 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.291 0 O-C-N 120.675 -1.266 . . . . 0.0 110.639 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.0 mt -92.47 123.22 35.62 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.819 -1.176 . . . . 0.0 109.008 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.5 mt -88.56 122.23 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.334 -0.854 . . . . 0.0 109.926 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -134.94 94.53 16.22 Favored Pre-proline 0 N--CA 1.496 1.868 0 O-C-N 121.589 -0.694 . . . . 0.0 109.547 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.667 ' O ' HD12 ' A' ' 53' ' ' LEU . 15.7 Cg_endo -98.54 31.33 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 123.142 2.561 . . . . 0.0 112.145 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 52' ' ' PRO . 1.1 mp -141.18 137.69 17.04 Favored Pre-proline 0 N--CA 1.499 2.01 0 O-C-N 121.015 -1.053 . . . . 0.0 108.937 -179.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -75.04 167.51 26.86 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.255 1.97 . . . . 0.0 111.869 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.7 m -154.57 160.43 41.49 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.11 -0.994 . . . . 0.0 109.781 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.447 ' O ' ' CG1' ' A' ' 56' ' ' VAL . 2.5 p -108.65 120.13 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.4 mt -103.79 146.34 28.77 Favored 'General case' 0 N--CA 1.498 1.925 0 CA-C-O 122.014 0.911 . . . . 0.0 110.728 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 3.6 t70 -112.31 139.97 23.14 Favored Pre-proline 0 N--CA 1.491 1.595 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.82 -22.55 17.5 Favored 'Trans proline' 0 N--CA 1.497 1.68 0 C-N-CA 121.998 1.799 . . . . 0.0 112.977 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.455 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -78.88 -39.55 34.75 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.12 -0.987 . . . . 0.0 110.399 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -76.51 -32.22 58.16 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.972 -1.08 . . . . 0.0 109.911 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.5 t -69.75 -37.91 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.92 -1.112 . . . . 0.0 109.348 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -67.08 -38.21 85.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.17 -0.956 . . . . 0.0 108.727 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.1 t -64.0 -37.39 87.24 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.297 -0.877 . . . . 0.0 109.279 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.58 -47.0 20.48 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.263 -0.898 . . . . 0.0 108.835 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.3 t -54.59 -31.82 24.14 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 O-C-N 121.203 -0.936 . . . . 0.0 108.565 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.54 -39.95 51.36 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.39 -0.819 . . . . 0.0 109.781 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.6 m -64.64 -50.94 65.14 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.055 -1.028 . . . . 0.0 109.099 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.634 ' CG2' HH12 ' A' ' 110' ' ' ARG . 21.7 mt -55.85 -41.82 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.237 -0.914 . . . . 0.0 108.886 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.474 ' NE ' ' CD2' ' A' ' 108' ' ' LEU . 73.6 mtt180 -77.8 -23.13 49.19 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.335 -0.853 . . . . 0.0 110.714 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -97.14 -31.74 12.31 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.804 -1.185 . . . . 0.0 110.09 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -164.87 89.56 1.01 Allowed Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.207 -0.933 . . . . 0.0 109.906 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.77 -14.48 45.08 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 121.782 1.654 . . . . 0.0 113.698 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -84.02 -24.73 30.38 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.679 -1.263 . . . . 0.0 110.377 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.5 p -83.15 22.0 1.03 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.957 -1.09 . . . . 0.0 109.972 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 t -122.26 96.5 46.21 Favored Pre-proline 0 N--CA 1.501 2.111 0 O-C-N 121.235 -0.916 . . . . 0.0 109.306 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.56 156.19 6.55 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.478 2.119 . . . . 0.0 112.526 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.5 171.69 17.76 Favored 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 122.629 2.22 . . . . 0.0 111.757 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.506 HG22 ' NH2' ' A' ' 101' ' ' ARG . 9.7 pt -105.88 166.01 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.561 -0.712 . . . . 0.0 109.447 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -89.46 130.37 35.82 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.264 -0.897 . . . . 0.0 108.764 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.0 t -137.31 140.19 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.291 -0.88 . . . . 0.0 109.632 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.1 mt -91.5 133.18 35.73 Favored 'General case' 0 N--CA 1.5 2.063 0 CA-C-O 121.651 0.739 . . . . 0.0 109.855 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.438 ' NE1' ' OD1' ' A' ' 91' ' ' ASP . 11.4 t90 -108.7 113.32 26.19 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.8 mt -131.89 145.99 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.283 -0.885 . . . . 0.0 109.682 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.481 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 38.3 mttp -109.66 156.59 20.05 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-O 121.86 0.838 . . . . 0.0 110.421 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.3 -174.4 38.9 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.52 -6.94 22.12 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.671 -0.9 . . . . 0.0 110.844 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -126.37 24.94 6.68 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.087 -1.008 . . . . 0.0 110.675 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.47 -14.01 37.59 Favored Glycine 0 N--CA 1.496 2.643 0 C-N-CA 120.072 -1.061 . . . . 0.0 111.123 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.521 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -49.11 108.47 0.43 Allowed Glycine 0 N--CA 1.487 2.07 0 O-C-N 120.827 -1.396 . . . . 0.0 109.63 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.481 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 6.8 m-20 -77.72 136.02 38.12 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.444 -1.033 . . . . 0.0 108.922 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.521 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 98.8 m-85 -129.8 129.09 43.61 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -104.65 119.34 38.76 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.291 -0.881 . . . . 0.0 110.122 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -104.14 131.12 51.76 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.15 120.87 39.02 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -123.3 86.03 2.51 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 137.16 -152.74 21.55 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.09 16.72 0.08 OUTLIER Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 97' ' ' GLY . 7.0 m -50.58 -49.73 55.57 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.168 -1.195 . . . . 0.0 110.027 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -67.51 -55.08 14.94 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.169 -0.957 . . . . 0.0 110.053 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.506 ' NH2' HG22 ' A' ' 79' ' ' ILE . 43.4 mtm180 -53.51 -30.72 42.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.899 -1.126 . . . . 0.0 109.283 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -66.18 -43.79 85.87 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.963 -1.085 . . . . 0.0 108.52 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.11 -45.99 91.13 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.312 -0.868 . . . . 0.0 109.619 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.79 -44.48 86.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.166 -0.959 . . . . 0.0 109.428 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -69.55 -43.17 73.5 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.196 -0.94 . . . . 0.0 108.945 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -60.22 -50.89 71.88 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.245 -0.91 . . . . 0.0 109.471 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.408 ' C ' ' H ' ' A' ' 109' ' ' GLN . 11.0 tm0? -54.07 -42.67 69.56 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.473 -0.767 . . . . 0.0 110.03 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.474 ' CD2' ' NE ' ' A' ' 70' ' ' ARG . 75.8 mt -73.53 11.08 0.87 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.072 -1.018 . . . . 0.0 109.67 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.408 ' H ' ' C ' ' A' ' 107' ' ' GLN . 48.7 mm-40 45.36 28.89 0.51 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.341 -0.849 . . . . 0.0 110.283 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.634 HH12 ' CG2' ' A' ' 69' ' ' ILE . 21.0 mmt85 -63.41 156.11 26.98 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.015 -1.053 . . . . 0.0 108.52 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -80.3 -41.58 24.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.348 -0.845 . . . . 0.0 110.643 -178.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.646 HG22 ' HA ' ' A' ' 45' ' ' PRO . 33.9 p -133.17 177.05 7.97 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.997 -1.065 . . . . 0.0 110.763 -178.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.7 tt -139.86 141.56 27.92 Favored Pre-proline 0 N--CA 1.504 2.226 0 O-C-N 121.694 -0.629 . . . . 0.0 109.785 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.47 130.1 21.58 Favored 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 120.941 1.094 . . . . 0.0 110.838 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.42 137.2 25.39 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.22 -0.925 . . . . 0.0 109.738 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -80.46 111.86 17.26 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 42.9 mt -79.07 132.81 36.73 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.851 -1.156 . . . . 0.0 109.128 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 58.1 t -132.88 115.84 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.616 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 4.0 mp0 -54.19 134.71 44.56 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.026 -1.046 . . . . 0.0 109.111 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.1 m -138.15 -179.71 5.94 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.284 -0.885 . . . . 0.0 109.096 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.8 p -128.21 160.75 31.13 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.586 -0.696 . . . . 0.0 109.374 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.0 tp -55.26 -35.64 65.22 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.119 -0.988 . . . . 0.0 109.72 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.2 t -54.85 -46.01 74.62 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.871 -1.143 . . . . 0.0 109.428 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -55.39 -46.88 76.54 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.065 -1.022 . . . . 0.0 108.476 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.4 tp -58.74 -38.32 78.12 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.052 -1.03 . . . . 0.0 108.934 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.8 ttm-85 -57.55 -35.63 70.59 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.185 -0.947 . . . . 0.0 109.33 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 82.3 t -59.2 -33.53 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.067 -1.021 . . . . 0.0 108.325 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -90.69 -48.35 7.11 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.361 -0.837 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 131' ' ' ALA . 42.6 mt -115.73 44.24 1.93 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.383 -0.823 . . . . 0.0 110.216 -178.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.64 38.38 0.1 OUTLIER Glycine 0 N--CA 1.488 2.153 0 C-N-CA 119.959 -1.115 . . . . 0.0 110.35 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.71 -54.9 0.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.81 -1.406 . . . . 0.0 109.4 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.6 t -99.29 37.56 1.54 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.187 -0.945 . . . . 0.0 109.184 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.89 117.79 68.76 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.38 -0.825 . . . . 0.0 110.172 -179.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -81.27 -174.09 2.07 Favored 'Trans proline' 0 N--CA 1.488 1.204 0 C-N-CA 122.03 1.82 . . . . 0.0 111.117 178.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.473 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 43.9 t0 -105.66 128.39 53.62 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.43 -0.794 . . . . 0.0 109.013 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.52 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.9 mt -89.21 137.36 32.39 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 121.475 0.655 . . . . 0.0 110.274 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 58.7 mm-40 . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 117.904 -1.046 . . . . 0.0 109.037 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.357 0.598 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -144.8 -174.36 4.32 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.263 -0.898 . . . . 0.0 109.459 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.497 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 87.4 t -74.87 143.39 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.387 -0.821 . . . . 0.0 109.084 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 12.9 m-70 -151.31 145.79 25.57 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.336 -0.853 . . . . 0.0 109.732 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -83.45 95.46 8.27 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.408 ' CG1' HD21 ' A' ' 49' ' ' LEU . 4.1 p -88.96 124.94 63.99 Favored Pre-proline 0 N--CA 1.496 1.867 0 O-C-N 121.139 -0.976 . . . . 0.0 108.856 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.663 ' HA ' HG22 ' A' ' 112' ' ' THR . 50.6 Cg_exo -47.92 142.48 15.06 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 C-N-CA 121.838 1.692 . . . . 0.0 113.75 -178.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.2 mt -68.83 -32.53 72.29 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.245 -0.909 . . . . 0.0 109.097 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.4 p -66.0 -17.67 64.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.784 -0.573 . . . . 0.0 112.253 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.2 m -111.1 26.28 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.217 0 O-C-N 120.805 -1.184 . . . . 0.0 110.687 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.588 HD13 HH12 ' A' ' 51' ' ' ARG . 68.5 mt -95.27 127.81 41.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.959 -1.088 . . . . 0.0 108.806 178.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.0 mt -95.8 119.72 44.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.323 -0.861 . . . . 0.0 110.392 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.588 HH12 HD13 ' A' ' 49' ' ' LEU . 76.6 mtt85 -134.62 95.28 16.06 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.795 -0.565 . . . . 0.0 109.739 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -97.2 28.11 0.19 Allowed 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.965 2.443 . . . . 0.0 111.385 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tt -141.69 97.85 6.53 Favored Pre-proline 0 N--CA 1.495 1.782 0 O-C-N 121.402 -0.811 . . . . 0.0 109.35 -178.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.52 163.43 36.08 Favored 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 121.405 1.403 . . . . 0.0 111.641 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 m -151.38 167.49 27.77 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.111 -0.993 . . . . 0.0 110.001 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 56' ' ' VAL . 3.5 p -89.42 110.18 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.8 mt -87.34 146.63 25.83 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.998 -1.064 . . . . 0.0 110.653 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -95.6 132.64 27.05 Favored Pre-proline 0 C--N 1.296 -1.724 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.086 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -75.16 -19.98 16.99 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 121.97 1.78 . . . . 0.0 112.983 -178.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.541 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -84.16 -45.27 13.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.072 -1.017 . . . . 0.0 110.043 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.438 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 9.5 ttmt -66.78 -31.87 72.78 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.203 -0.936 . . . . 0.0 109.81 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.15 -36.03 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.858 -1.151 . . . . 0.0 108.545 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -62.87 -45.19 93.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.373 -0.829 . . . . 0.0 109.13 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.2 t -56.36 -39.44 72.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.332 -0.855 . . . . 0.0 109.303 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.8 mt -72.93 -50.43 23.61 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.232 -0.917 . . . . 0.0 108.561 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.0 t -55.98 -32.28 32.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -76.18 -38.61 56.38 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.449 -0.782 . . . . 0.0 110.003 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.2 m -64.99 -51.75 59.95 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.046 -1.034 . . . . 0.0 109.427 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.633 ' CG2' HH12 ' A' ' 110' ' ' ARG . 13.8 mt -56.5 -41.37 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.293 -0.879 . . . . 0.0 108.771 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.406 ' NE ' ' CD2' ' A' ' 108' ' ' LEU . 70.0 mtt180 -77.4 -27.09 52.28 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.293 -0.879 . . . . 0.0 110.372 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -89.81 -37.09 14.73 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.745 -1.222 . . . . 0.0 109.532 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -161.39 99.83 1.24 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.237 -0.914 . . . . 0.0 109.327 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.85 -4.96 16.19 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.522 1.481 . . . . 0.0 113.166 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -89.01 -26.1 21.64 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.868 -1.145 . . . . 0.0 110.82 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.6 t -88.52 25.33 1.72 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.792 -1.193 . . . . 0.0 109.575 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.9 t -118.31 110.74 39.01 Favored Pre-proline 0 N--CA 1.499 2.003 0 O-C-N 121.333 -0.854 . . . . 0.0 108.742 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.71 162.17 30.13 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 121.671 1.581 . . . . 0.0 112.945 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -79.14 172.56 14.61 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 122.873 2.382 . . . . 0.0 112.198 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.3 pt -111.44 165.39 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 80' ' ' ASP . 1.1 p-10 -87.26 136.26 33.0 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.247 -0.908 . . . . 0.0 109.166 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.1 t -138.31 141.92 36.6 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.287 -0.883 . . . . 0.0 109.492 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.0 mt -90.27 131.75 35.91 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.388 -0.82 . . . . 0.0 109.868 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -107.59 112.78 25.68 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.3 mt -130.43 144.03 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.211 -0.931 . . . . 0.0 109.615 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.523 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 37.1 mttp -109.71 156.38 20.34 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 121.781 0.8 . . . . 0.0 110.257 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.1 -174.57 39.24 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.39 -7.29 23.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.737 -0.861 . . . . 0.0 110.835 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -125.87 24.67 7.01 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.08 -1.012 . . . . 0.0 110.699 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.12 -13.55 38.01 Favored Glycine 0 N--CA 1.496 2.65 0 O-C-N 121.011 -1.055 . . . . 0.0 111.16 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.53 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.85 109.09 0.49 Allowed Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.523 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 14.2 m-20 -77.67 135.33 38.07 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.449 -1.03 . . . . 0.0 109.175 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.53 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.0 m-85 -129.97 122.76 29.12 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -98.98 118.02 34.81 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.254 -0.903 . . . . 0.0 110.09 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -106.6 134.35 49.88 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.46 134.75 52.97 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.477 -0.764 . . . . 0.0 109.215 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -135.08 91.0 2.69 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 131.95 -167.04 22.96 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 108.523 -1.831 . . . . 0.0 108.523 -179.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 46.3 15.1 0.12 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 97' ' ' GLY . 7.1 m -49.44 -52.54 28.23 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.096 -1.237 . . . . 0.0 109.445 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -55.01 -30.63 59.92 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.219 -0.925 . . . . 0.0 109.054 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -29.04 66.38 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 109.561 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.32 -45.49 62.88 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.134 -0.979 . . . . 0.0 109.454 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.06 -41.31 83.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.14 -0.975 . . . . 0.0 109.822 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.07 -48.94 76.49 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.138 -0.976 . . . . 0.0 109.675 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -66.12 -41.56 90.38 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.214 -0.929 . . . . 0.0 108.835 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.428 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -62.1 -46.58 88.42 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.31 -0.868 . . . . 0.0 109.341 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -57.96 -40.85 81.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.295 -0.878 . . . . 0.0 109.971 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.406 ' CD2' ' NE ' ' A' ' 70' ' ' ARG . 98.6 mt -74.58 6.74 3.52 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.16 -0.962 . . . . 0.0 109.503 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 47.12 45.65 16.07 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.345 -0.847 . . . . 0.0 110.151 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.633 HH12 ' CG2' ' A' ' 69' ' ' ILE . 21.0 mmt85 -80.71 160.7 24.88 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.985 -1.072 . . . . 0.0 108.583 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 111' ' ' GLU . 21.7 mp0 -81.66 -41.51 21.29 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.313 -0.867 . . . . 0.0 110.407 -179.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.663 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.8 p -135.0 177.22 7.97 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.031 -1.043 . . . . 0.0 110.463 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.4 tt -139.41 141.16 27.9 Favored Pre-proline 0 N--CA 1.504 2.233 0 O-C-N 121.739 -0.601 . . . . 0.0 109.833 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.3 130.2 22.03 Favored 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 120.902 1.068 . . . . 0.0 110.792 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -149.46 133.85 17.47 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.192 -0.943 . . . . 0.0 109.292 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -79.5 117.59 20.59 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.301 -0.874 . . . . 0.0 109.001 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 49.4 mt -77.89 136.13 38.0 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.23 -0.919 . . . . 0.0 108.561 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.2 t -133.29 108.72 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.536 -0.727 . . . . 0.0 109.203 -179.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.653 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 14.8 mp0 -46.15 134.01 8.78 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.287 -0.883 . . . . 0.0 109.106 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.8 m -141.7 179.52 6.79 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.166 -0.959 . . . . 0.0 109.309 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.0 p -131.83 160.9 34.29 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.532 -0.73 . . . . 0.0 109.385 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.3 tp -54.54 -25.45 25.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.181 -0.949 . . . . 0.0 109.684 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 57.7 m -62.97 -48.22 79.8 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.95 -1.094 . . . . 0.0 109.535 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -55.17 -41.65 72.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.157 -0.964 . . . . 0.0 108.82 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.5 tp -61.82 -38.29 87.62 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.085 -1.01 . . . . 0.0 109.134 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.1 ttm105 -57.86 -37.07 73.26 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.07 -1.019 . . . . 0.0 109.175 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.6 t -57.65 -34.91 48.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.148 -0.97 . . . . 0.0 108.44 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -90.49 -48.32 7.17 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.337 -0.852 . . . . 0.0 110.922 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.551 ' O ' ' N ' ' A' ' 131' ' ' ALA . 75.6 mt -115.12 43.61 1.97 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.435 -0.79 . . . . 0.0 110.302 -178.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.85 38.95 0.1 Allowed Glycine 0 N--CA 1.489 2.214 0 C-N-CA 119.913 -1.137 . . . . 0.0 110.334 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.87 -59.53 0.14 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.781 -1.423 . . . . 0.0 109.564 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.9 t -97.64 37.48 1.38 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.04 -1.038 . . . . 0.0 109.232 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.71 117.93 67.2 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.292 -0.88 . . . . 0.0 110.044 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -81.48 -174.38 2.16 Favored 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 122.018 1.812 . . . . 0.0 111.375 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.465 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 45.0 t0 -105.67 129.51 53.88 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.733 0.778 . . . . 0.0 109.003 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.529 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 93.8 mt -89.81 137.27 32.48 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.512 0.672 . . . . 0.0 110.399 -179.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 59.1 mm-40 . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 117.891 -1.052 . . . . 0.0 109.036 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.0 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.02 -174.13 4.77 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.283 -0.886 . . . . 0.0 109.777 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.458 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 84.2 t -74.96 144.36 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.458 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 10.1 m-70 -149.66 142.39 24.61 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.291 -0.88 . . . . 0.0 109.733 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -82.64 95.32 7.77 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.447 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.3 p -87.81 123.8 68.45 Favored Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 121.169 -0.957 . . . . 0.0 109.256 -179.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.642 ' HA ' HG22 ' A' ' 112' ' ' THR . 77.5 Cg_exo -47.46 140.07 16.44 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 121.856 1.704 . . . . 0.0 113.345 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.8 -30.47 70.68 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.443 -0.785 . . . . 0.0 109.321 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p -62.92 -27.35 69.31 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.813 -0.555 . . . . 0.0 112.107 -177.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.3 m -103.57 26.27 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.228 0 O-C-N 120.788 -1.195 . . . . 0.0 111.351 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.0 mt -90.3 138.32 31.63 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.707 -1.246 . . . . 0.0 108.838 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.4 mt -109.5 113.13 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.599 -0.688 . . . . 0.0 109.394 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.9 mtp-105 -134.62 96.63 14.9 Favored Pre-proline 0 N--CA 1.498 1.941 0 O-C-N 121.547 -0.721 . . . . 0.0 109.775 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -96.04 28.06 0.23 Allowed 'Trans proline' 0 C--N 1.314 -1.268 0 C-N-CA 122.911 2.407 . . . . 0.0 111.618 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.9 tt -141.34 93.68 7.87 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.303 -0.873 . . . . 0.0 109.426 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -75.22 164.12 33.56 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 121.66 1.574 . . . . 0.0 111.845 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 m -149.07 168.91 21.89 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.147 -0.971 . . . . 0.0 109.878 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.8 t -87.67 108.89 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.596 HD21 ' SG ' ' A' ' 99' ' ' CYS . 77.7 mt -88.38 146.77 25.08 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 122.056 0.931 . . . . 0.0 110.759 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.6 OUTLIER -95.38 130.36 32.42 Favored Pre-proline 0 C--N 1.298 -1.646 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.867 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -75.69 -19.1 16.75 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.792 1.661 . . . . 0.0 112.952 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.521 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -83.1 -42.39 17.45 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.052 -1.03 . . . . 0.0 110.091 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -31.76 68.55 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.133 -0.979 . . . . 0.0 109.622 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.4 t -70.97 -50.94 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.021 -1.049 . . . . 0.0 109.034 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.571 HE22 ' CG ' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -49.78 -42.27 46.29 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.401 ' HA ' HE21 ' A' ' 63' ' ' GLN . 31.1 t -60.5 -45.74 92.68 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.326 -0.858 . . . . 0.0 109.412 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.8 mt -63.79 -42.95 97.62 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.19 -0.944 . . . . 0.0 108.734 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.4 t -55.25 -33.29 30.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.571 ' CG ' HE22 ' A' ' 63' ' ' GLN . 0.7 OUTLIER -76.27 -33.91 59.12 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.38 -0.825 . . . . 0.0 109.401 179.504 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.9 m -67.27 -50.97 58.39 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.12 -0.987 . . . . 0.0 109.231 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.8 mt -58.02 -41.33 80.12 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.426 -0.796 . . . . 0.0 109.261 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -77.34 -32.23 55.01 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.244 -0.91 . . . . 0.0 110.319 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -86.4 -34.48 20.16 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.909 -1.119 . . . . 0.0 110.209 -178.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -154.66 85.88 3.62 Favored Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.141 -0.975 . . . . 0.0 109.766 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -62.11 -20.63 70.44 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.728 1.619 . . . . 0.0 113.191 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -85.78 -26.8 25.58 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.774 -1.204 . . . . 0.0 110.528 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.2 m -77.81 16.91 0.62 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.871 -1.143 . . . . 0.0 109.636 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 t -119.52 113.42 34.98 Favored Pre-proline 0 N--CA 1.5 2.045 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -76.46 162.21 33.62 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 121.672 1.581 . . . . 0.0 113.097 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -77.65 172.13 16.29 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 122.878 2.385 . . . . 0.0 112.106 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.433 HG22 ' NH2' ' A' ' 101' ' ' ARG . 7.2 pt -110.0 167.67 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -91.4 135.27 33.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.169 -0.957 . . . . 0.0 109.036 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.9 t -138.06 138.32 43.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.371 -0.831 . . . . 0.0 109.401 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.3 mt -86.29 142.01 28.83 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.422 -0.799 . . . . 0.0 109.94 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.451 ' NE1' ' OD1' ' A' ' 91' ' ' ASP . 11.3 t90 -117.74 113.12 21.37 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.1 mt -131.81 145.11 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.309 -0.87 . . . . 0.0 110.031 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.507 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 38.5 mttp -108.42 156.76 19.08 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.564 0.697 . . . . 0.0 109.567 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.22 -167.18 30.18 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.03 -7.18 33.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.627 -0.925 . . . . 0.0 110.763 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.418 ' C ' ' H ' ' A' ' 90' ' ' GLY . 38.1 mt-30 -130.2 39.46 3.66 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.054 -1.029 . . . . 0.0 110.672 -179.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.57 -11.92 0.54 Allowed Glycine 0 N--CA 1.494 2.537 0 O-C-N 121.217 -0.927 . . . . 0.0 111.639 178.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -49.37 109.42 0.59 Allowed Glycine 0 N--CA 1.485 1.924 0 O-C-N 120.771 -1.429 . . . . 0.0 109.559 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.507 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 7.7 m-20 -78.57 134.36 37.23 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.38 -1.071 . . . . 0.0 108.703 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 95.1 m-85 -128.61 125.21 37.71 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -100.74 121.32 41.47 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.217 -0.927 . . . . 0.0 110.293 -178.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -108.99 136.58 48.28 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.6 130.36 51.51 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 179.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -130.86 89.89 2.82 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 136.59 -156.66 23.24 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 107.887 -2.085 . . . . 0.0 107.887 -179.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 46.34 14.39 0.1 OUTLIER Glycine 0 N--CA 1.493 2.477 0 O-C-N 121.005 -1.291 . . . . 0.0 110.074 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.596 ' SG ' HD21 ' A' ' 57' ' ' LEU . 4.7 t -50.69 -43.31 57.58 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.142 -1.21 . . . . 0.0 110.055 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -76.03 -53.94 7.6 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.054 -1.029 . . . . 0.0 109.57 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.433 ' NH2' HG22 ' A' ' 79' ' ' ILE . 25.0 mtm180 -53.48 -29.79 37.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.918 -1.114 . . . . 0.0 108.801 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -67.2 -42.36 84.26 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.23 91.6 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.308 -0.87 . . . . 0.0 109.699 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.0 93.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.181 -0.949 . . . . 0.0 109.379 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -68.78 -42.41 77.45 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.227 -0.921 . . . . 0.0 108.933 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.441 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -61.74 -45.82 92.28 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.249 -0.907 . . . . 0.0 109.452 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.407 ' C ' ' H ' ' A' ' 109' ' ' GLN . 36.0 tt0 -60.99 -43.29 99.05 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.351 -0.843 . . . . 0.0 110.112 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.4 mt -70.28 6.19 1.43 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.05 -1.031 . . . . 0.0 109.718 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.407 ' H ' ' C ' ' A' ' 107' ' ' GLN . 5.9 tt0 45.09 37.38 2.5 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.378 -0.826 . . . . 0.0 110.286 179.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -70.17 161.37 30.35 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.006 -1.059 . . . . 0.0 108.54 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.416 ' CD ' ' N ' ' A' ' 111' ' ' GLU . 16.6 mp0 -80.07 -40.01 28.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.394 -0.816 . . . . 0.0 110.775 -178.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.642 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.7 p -134.38 177.4 7.79 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.066 -1.021 . . . . 0.0 110.656 -178.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -138.61 141.35 30.68 Favored Pre-proline 0 N--CA 1.502 2.136 0 O-C-N 121.71 -0.619 . . . . 0.0 109.76 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -69.1 132.11 23.67 Favored 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 120.968 1.112 . . . . 0.0 110.708 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.29 132.83 12.96 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.194 -0.942 . . . . 0.0 109.662 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -77.64 121.87 24.55 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.388 -0.82 . . . . 0.0 109.186 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 40.3 mt -84.95 134.58 34.24 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.179 -0.951 . . . . 0.0 109.219 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.7 t -134.76 116.01 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.618 ' NE2' ' H ' ' A' ' 119' ' ' GLN . 4.0 mp0 -53.43 139.32 31.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.128 -0.982 . . . . 0.0 109.093 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.6 m -142.5 -179.05 6.06 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.203 -0.936 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.5 p -129.43 160.77 32.09 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.53 -0.731 . . . . 0.0 109.378 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.9 tp -55.13 -34.53 63.81 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.056 -1.028 . . . . 0.0 109.665 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 68.0 m -55.73 -45.59 77.93 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.92 -1.112 . . . . 0.0 109.4 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.38 -46.44 76.52 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.035 -1.041 . . . . 0.0 108.445 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.11 -37.94 81.51 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.06 -1.025 . . . . 0.0 108.918 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 -57.77 -34.68 69.83 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.155 -0.966 . . . . 0.0 109.249 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.24 -34.3 56.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 O-C-N 121.14 -0.975 . . . . 0.0 108.417 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -90.54 -48.48 7.06 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.309 -0.869 . . . . 0.0 111.001 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 131' ' ' ALA . 74.9 mt -114.82 42.95 2.05 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.38 -0.825 . . . . 0.0 110.389 -177.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.66 39.41 0.1 Allowed Glycine 0 N--CA 1.488 2.147 0 C-N-CA 119.932 -1.128 . . . . 0.0 110.405 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.68 -58.41 0.14 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.78 -1.423 . . . . 0.0 109.549 179.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.4 t -99.22 35.85 1.84 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.105 -0.997 . . . . 0.0 109.293 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.46 119.45 75.93 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 0.0 109.866 -179.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.87 -174.29 2.21 Favored 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.934 1.756 . . . . 0.0 111.514 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.546 ' C ' HE21 ' A' ' 137' ' ' GLN . 43.7 t0 -106.79 119.67 39.95 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.53 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 94.1 mt -80.41 137.72 36.55 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.458 -0.776 . . . . 0.0 110.374 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.546 HE21 ' C ' ' A' ' 135' ' ' ASP . 58.9 mm-40 . . . . . 0 N--CA 1.497 1.875 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.327 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -160.76 60.38 1.31 Allowed Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.232 -1.158 . . . . 0.0 109.52 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.69 33.95 0.41 Allowed 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.735 2.29 . . . . 0.0 111.993 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -170.1 163.34 9.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.208 -0.933 . . . . 0.0 109.447 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.31 178.56 34.51 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.38 -93.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.781 2.32 . . . . 0.0 112.013 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 170.36 179.19 41.67 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.43 133.97 16.57 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.836 2.357 . . . . 0.0 111.984 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.5 m -161.3 27.26 0.13 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.239 -0.913 . . . . 0.0 109.508 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.69 113.17 0.27 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.82 87.72 0.05 OUTLIER Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.56 -44.09 45.17 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.223 -1.163 . . . . 0.0 109.475 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -71.95 140.15 49.03 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.192 -0.942 . . . . 0.0 109.469 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.34 16.49 62.75 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.49 137.72 29.5 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 p -70.09 179.04 2.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.191 -1.181 . . . . 0.0 109.447 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.1 pt -79.14 55.27 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.251 -0.906 . . . . 0.0 109.499 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.404 ' H ' ' H ' ' A' ' 35' ' ' SER . 84.8 t60 -169.5 -7.5 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.218 -0.926 . . . . 0.0 109.465 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.404 ' H ' ' H ' ' A' ' 34' ' ' HIS . 26.8 t -71.39 -94.65 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -0.915 . . . . 0.0 109.456 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -161.68 131.47 2.57 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.681 ' CZ ' ' H ' ' A' ' 38' ' ' ILE . 2.4 tpm_? -170.0 151.89 4.18 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.245 -1.15 . . . . 0.0 109.374 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.681 ' H ' ' CZ ' ' A' ' 37' ' ' ARG . 22.5 mt -139.57 98.53 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.313 -0.867 . . . . 0.0 108.945 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -110.39 117.55 33.92 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -151.66 -174.34 4.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.266 -0.896 . . . . 0.0 109.798 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.463 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 55.6 t -75.46 144.06 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 10.4 m-70 -149.03 143.88 26.37 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.092 -1.005 . . . . 0.0 109.968 -179.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -84.08 95.55 8.63 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.2 p -89.29 124.66 64.08 Favored Pre-proline 0 N--CA 1.497 1.891 0 O-C-N 121.196 -0.94 . . . . 0.0 109.268 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.649 ' HA ' HG22 ' A' ' 112' ' ' THR . 89.3 Cg_exo -47.4 139.71 16.6 Favored 'Trans proline' 0 N--CA 1.499 1.812 0 C-N-CA 121.964 1.776 . . . . 0.0 113.802 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.5 mt -67.09 -29.39 69.13 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.421 -0.8 . . . . 0.0 108.913 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t -68.05 -16.98 64.26 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.642 -0.661 . . . . 0.0 112.332 -177.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.6 m -112.19 24.95 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.272 0 O-C-N 120.695 -1.253 . . . . 0.0 110.96 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.9 mt -88.77 138.5 31.36 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.766 -1.209 . . . . 0.0 108.589 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.3 mt -108.48 115.48 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.534 -0.729 . . . . 0.0 109.859 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -132.49 95.75 20.03 Favored Pre-proline 0 N--CA 1.495 1.787 0 O-C-N 121.722 -0.611 . . . . 0.0 109.403 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -97.05 29.12 0.17 Allowed 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.944 2.429 . . . . 0.0 111.946 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tt -141.16 87.83 10.49 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.353 -0.842 . . . . 0.0 109.679 -178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -49.11 169.38 0.1 Allowed 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 122.487 2.124 . . . . 0.0 112.164 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.7 m -158.21 165.35 35.1 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.166 -0.959 . . . . 0.0 109.88 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.9 t -96.17 110.24 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.5 mt -92.85 146.56 23.54 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 122.116 0.96 . . . . 0.0 110.924 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.1 t70 -103.11 133.42 20.35 Favored Pre-proline 0 C--N 1.299 -1.601 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 178.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.447 ' O ' ' OE1' ' A' ' 63' ' ' GLN . 94.9 Cg_endo -74.98 -19.64 17.69 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 121.937 1.758 . . . . 0.0 112.697 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.523 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.74 -35.45 20.78 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.991 -1.068 . . . . 0.0 109.155 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 27.9 tttt -73.28 -29.88 63.03 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.499 -0.751 . . . . 0.0 110.195 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.6 t -73.11 -34.92 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.627 ' N ' ' OE1' ' A' ' 63' ' ' GLN . 1.3 mp0 -62.74 -40.24 96.62 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.795 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 10.4 t -62.74 -40.81 98.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.284 -0.885 . . . . 0.0 109.363 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.6 mt -72.9 -45.36 58.63 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.227 -0.92 . . . . 0.0 108.866 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.0 t -55.78 -29.81 26.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.324 -0.86 . . . . 0.0 108.7 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -75.87 -36.67 59.47 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.468 -0.77 . . . . 0.0 110.022 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.5 m -65.31 -50.75 64.51 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.114 -0.991 . . . . 0.0 109.579 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.2 mt -60.17 -38.9 78.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.361 -0.837 . . . . 0.0 109.449 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -77.15 -29.79 54.76 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.255 -0.903 . . . . 0.0 110.471 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -91.82 -37.62 12.83 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.744 -1.222 . . . . 0.0 109.953 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -155.67 97.64 2.32 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.098 -1.001 . . . . 0.0 109.597 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.52 -3.31 13.71 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 121.617 1.545 . . . . 0.0 112.98 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -89.65 -28.84 19.22 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.936 -1.102 . . . . 0.0 110.809 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.4 m -83.6 23.38 0.96 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.767 -1.208 . . . . 0.0 109.59 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 t -120.68 103.4 43.63 Favored Pre-proline 0 N--CA 1.5 2.026 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.539 ' O ' ' NH1' ' A' ' 101' ' ' ARG . 38.2 Cg_endo -74.86 162.76 36.85 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.665 1.577 . . . . 0.0 112.695 -178.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.43 170.43 19.95 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.768 2.312 . . . . 0.0 112.165 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.1 pt -108.08 163.94 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -84.56 132.66 34.49 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.099 -1.0 . . . . 0.0 108.77 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.9 t -136.4 137.92 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.2 mt -88.47 133.29 34.17 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.463 -0.773 . . . . 0.0 110.069 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -108.32 107.73 18.44 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.418 HG21 HD13 ' A' ' 84' ' ' ILE . 27.6 mt -126.56 145.63 33.77 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 121.398 -0.814 . . . . 0.0 109.785 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.531 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 37.3 mttp -108.7 156.6 19.39 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 121.548 0.689 . . . . 0.0 109.594 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.36 -168.12 37.13 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.49 -6.5 36.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.549 -0.971 . . . . 0.0 110.776 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -130.0 39.09 3.73 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.062 -1.024 . . . . 0.0 110.799 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.85 -12.91 0.97 Allowed Glycine 0 N--CA 1.493 2.476 0 O-C-N 121.102 -0.999 . . . . 0.0 111.658 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.526 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -50.35 108.39 0.5 Allowed Glycine 0 N--CA 1.487 2.037 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.531 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 12.6 m-20 -76.53 136.4 39.3 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.452 -1.028 . . . . 0.0 109.176 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.526 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 98.7 m-85 -131.82 130.65 42.03 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -104.28 120.53 41.38 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.318 -0.864 . . . . 0.0 110.185 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -107.14 137.62 44.87 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.49 132.98 49.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.696 -0.628 . . . . 0.0 109.397 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -134.49 90.67 2.69 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 135.27 -163.94 24.85 Favored Glycine 0 N--CA 1.494 2.512 0 N-CA-C 108.385 -1.886 . . . . 0.0 108.385 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 1.129 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 45.39 24.28 0.98 Allowed Glycine 0 N--CA 1.495 2.612 0 O-C-N 121.097 -1.237 . . . . 0.0 110.36 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.828 ' N ' ' PG ' ' A' ' 1' ' ' ATP . 3.4 m -53.43 -56.18 18.98 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.92 -1.341 . . . . 0.0 109.796 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.591 ' N ' ' O1G' ' A' ' 1' ' ' ATP . 47.4 m80 -61.71 -33.95 74.93 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.116 -0.99 . . . . 0.0 109.749 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.539 ' NH1' ' O ' ' A' ' 77' ' ' PRO . 1.6 tpp85 -63.92 -31.37 72.52 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.982 -1.074 . . . . 0.0 109.228 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -68.7 -42.65 77.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.244 -0.91 . . . . 0.0 109.064 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.6 -44.47 89.89 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.282 -0.886 . . . . 0.0 110.113 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.78 -45.81 92.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.022 -1.049 . . . . 0.0 109.518 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -68.48 -42.89 78.05 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.29 -0.881 . . . . 0.0 109.146 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -35.45 80.45 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.337 -0.852 . . . . 0.0 110.024 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -70.31 -36.84 74.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.215 -0.928 . . . . 0.0 109.615 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 91.3 mt -74.04 11.06 0.98 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.276 -0.89 . . . . 0.0 109.813 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 45.43 43.15 8.41 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.273 -0.892 . . . . 0.0 110.154 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 70.2 mmt-85 -81.59 160.9 23.71 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.16 -0.963 . . . . 0.0 109.084 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.635 ' HG2' HG23 ' A' ' 112' ' ' THR . 12.6 tt0 -84.29 -42.59 15.67 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.508 -0.745 . . . . 0.0 110.567 -178.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.649 HG22 ' HA ' ' A' ' 45' ' ' PRO . 22.8 p -133.75 177.02 8.04 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.843 -1.161 . . . . 0.0 110.578 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.8 tt -139.05 140.64 27.32 Favored Pre-proline 0 N--CA 1.504 2.241 0 O-C-N 121.615 -0.678 . . . . 0.0 110.027 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -67.91 131.29 23.63 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 120.893 1.062 . . . . 0.0 110.519 177.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.12 129.38 11.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.098 -1.001 . . . . 0.0 109.897 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 29.0 tttp -72.68 123.94 24.3 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.514 -0.741 . . . . 0.0 109.17 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 53.2 mt -87.86 136.46 32.95 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.071 -1.018 . . . . 0.0 109.285 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 95.8 t -132.98 107.3 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.569 -0.707 . . . . 0.0 109.149 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.556 ' NE2' ' N ' ' A' ' 120' ' ' SER . 0.0 OUTLIER -50.3 132.45 24.35 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.249 -0.907 . . . . 0.0 108.896 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.556 ' N ' ' NE2' ' A' ' 119' ' ' GLN . 5.2 m -138.83 -178.79 5.48 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.312 -0.867 . . . . 0.0 109.432 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.1 p -127.45 160.46 31.39 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.571 -0.706 . . . . 0.0 109.438 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.8 tp -54.59 -27.61 40.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.096 -1.002 . . . . 0.0 109.601 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.4 t -59.82 -47.14 86.93 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.905 -1.122 . . . . 0.0 109.258 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -55.86 -37.2 68.45 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.023 -1.048 . . . . 0.0 108.563 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 125' ' ' LEU . 5.3 tp -67.73 -32.21 72.68 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.964 -1.085 . . . . 0.0 109.476 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -64.01 -35.21 79.97 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.775 -1.203 . . . . 0.0 108.615 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 67.1 t -58.88 -35.96 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 121.1 -1.0 . . . . 0.0 108.688 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -90.02 -47.5 7.8 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.207 -0.933 . . . . 0.0 110.719 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' A' ' 131' ' ' ALA . 66.8 mt -117.97 45.77 1.9 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.473 -0.767 . . . . 0.0 110.278 -178.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.34 37.87 0.12 Allowed Glycine 0 N--CA 1.489 2.212 0 C-N-CA 119.799 -1.191 . . . . 0.0 110.247 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.86 -53.77 0.09 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.904 -1.35 . . . . 0.0 109.333 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.7 t -99.12 36.17 1.77 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.184 -0.947 . . . . 0.0 109.361 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.31 121.73 84.21 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 121.283 -0.885 . . . . 0.0 109.378 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -78.78 -173.98 2.09 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.055 1.837 . . . . 0.0 111.899 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.56 ' C ' HE21 ' A' ' 137' ' ' GLN . 38.2 t0 -109.89 95.54 5.67 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.51 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.3 mt -62.33 142.61 57.69 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.673 0.749 . . . . 0.0 110.858 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.56 HE21 ' C ' ' A' ' 135' ' ' ASP . 71.1 mm-40 . . . . . 0 N--CA 1.497 1.895 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.204 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ATP . . . . . 1.129 ' O3G' ' N ' ' A' ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.99 152.92 96.61 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.239 -1.154 . . . . 0.0 109.087 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -72.7 133.96 21.24 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.325 2.016 . . . . 0.0 111.913 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -140.89 134.34 29.9 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.333 -0.854 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.0 -169.19 41.71 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -46.14 175.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.791 2.328 . . . . 0.0 112.253 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -175.94 60.64 0.11 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.89 69.39 6.22 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.734 2.289 . . . . 0.0 111.99 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.7 p -79.65 123.4 27.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.251 -0.906 . . . . 0.0 109.466 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -176.15 -98.39 0.11 Allowed Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.87 -173.56 43.42 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.95 -16.95 62.68 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.278 -1.131 . . . . 0.0 109.44 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.405 ' C ' ' H ' ' A' ' 31' ' ' GLY . 21.7 mt-30 -153.2 2.23 0.28 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.24 -0.913 . . . . 0.0 109.367 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.417 ' C ' ' H ' ' A' ' 32' ' ' SER . . . 75.51 -15.12 4.82 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 29' ' ' GLN . . . -77.61 21.55 3.03 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 30' ' ' GLY . 30.2 t -67.19 168.25 10.68 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.226 -1.161 . . . . 0.0 109.465 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.0 pt -71.54 176.12 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.307 -0.871 . . . . 0.0 109.488 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.515 ' O ' ' ND1' ' A' ' 34' ' ' HIS . 11.6 p80 -69.36 114.96 8.09 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.0 109.454 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.5 m -70.84 145.31 50.36 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.231 -0.918 . . . . 0.0 109.455 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 170.47 -116.69 0.66 Allowed Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.5 ttt-85 -170.06 148.18 3.35 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.318 -1.107 . . . . 0.0 109.455 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.8 mt -143.31 98.62 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.232 -0.917 . . . . 0.0 109.056 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -114.35 98.79 7.13 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.19 -174.38 4.43 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.279 -0.888 . . . . 0.0 109.635 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.514 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 91.2 t -75.12 144.01 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.449 -0.782 . . . . 0.0 109.108 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 14.2 m-70 -152.14 146.94 25.87 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.323 -0.861 . . . . 0.0 109.735 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -84.47 96.14 9.02 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.2 p -89.87 125.06 62.06 Favored Pre-proline 0 N--CA 1.498 1.954 0 O-C-N 121.15 -0.969 . . . . 0.0 109.102 -179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.647 ' HA ' HG22 ' A' ' 112' ' ' THR . 88.7 Cg_exo -47.24 141.2 13.76 Favored 'Trans proline' 0 N--CA 1.499 1.822 0 C-N-CA 121.909 1.739 . . . . 0.0 113.792 -179.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.8 mt -67.88 -31.27 70.96 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.475 -0.766 . . . . 0.0 109.119 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.0 t -67.72 -16.73 64.28 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.583 -0.698 . . . . 0.0 112.519 -177.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.5 m -111.44 24.5 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.285 0 O-C-N 120.656 -1.278 . . . . 0.0 110.993 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.6 mt -92.53 126.06 37.44 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.74 -1.225 . . . . 0.0 109.041 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.7 mt -94.98 118.62 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.391 -0.818 . . . . 0.0 110.122 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.3 mtp-105 -135.11 95.22 15.22 Favored Pre-proline 0 N--CA 1.496 1.867 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -95.84 25.96 0.28 Allowed 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 122.841 2.361 . . . . 0.0 112.589 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tt -130.95 101.85 16.42 Favored Pre-proline 0 N--CA 1.502 2.163 0 O-C-N 121.303 -0.873 . . . . 0.0 109.894 -178.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -48.02 169.52 0.07 OUTLIER 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.942 1.761 . . . . 0.0 112.053 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.8 m -159.96 162.68 34.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.107 -0.996 . . . . 0.0 109.945 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -107.35 110.56 32.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 75.2 mt -92.43 146.56 23.59 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.191 -0.943 . . . . 0.0 110.773 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -108.42 139.88 21.21 Favored Pre-proline 0 N--CA 1.49 1.552 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -75.96 -19.04 16.26 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 122.085 1.857 . . . . 0.0 113.015 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.66 -42.62 17.91 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.944 -1.097 . . . . 0.0 110.265 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.83 ' HD3' ' H2 ' ' A' ' 1' ' ' ATP . 0.4 OUTLIER -72.21 -31.84 66.22 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.05 -1.032 . . . . 0.0 109.939 -179.043 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 64.8 t -68.06 -35.57 72.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.824 -1.173 . . . . 0.0 109.03 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -66.31 -40.55 90.05 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.229 -0.919 . . . . 0.0 108.631 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 1.009 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 48.2 t -60.04 -39.63 86.58 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.29 -0.881 . . . . 0.0 109.235 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mt -74.67 -50.12 18.85 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.283 -0.886 . . . . 0.0 108.847 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.3 t -55.5 -30.88 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 O-C-N 121.194 -0.941 . . . . 0.0 108.675 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -76.52 -38.82 54.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.401 -0.812 . . . . 0.0 109.605 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.6 m -64.58 -51.67 61.57 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.416 -0.803 . . . . 0.0 109.379 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.5 mt -57.76 -40.9 78.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 121.406 -0.808 . . . . 0.0 109.196 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -76.97 -31.31 56.46 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.231 -0.918 . . . . 0.0 110.434 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -89.24 -35.46 16.17 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.838 -1.164 . . . . 0.0 110.128 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.432 ' OD1' ' OD2' ' A' ' 74' ' ' ASP . 37.4 t0 -156.61 97.32 2.16 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.221 -0.924 . . . . 0.0 109.317 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.91 -6.65 18.9 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 121.471 1.447 . . . . 0.0 113.06 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 75' ' ' SER . 1.5 p30 -88.13 -40.0 14.11 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.934 -1.104 . . . . 0.0 110.177 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.523 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 24.0 m -71.85 22.53 0.05 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.979 -1.076 . . . . 0.0 109.923 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.484 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.6 t -118.62 106.68 43.86 Favored Pre-proline 0 N--CA 1.499 1.998 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -76.27 162.07 34.28 Favored 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 121.616 1.544 . . . . 0.0 112.889 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -76.89 172.71 15.7 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.83 2.353 . . . . 0.0 112.193 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.459 HG22 HH21 ' A' ' 101' ' ' ARG . 4.4 pt -111.54 165.27 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -88.42 135.87 33.26 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.277 -0.89 . . . . 0.0 108.712 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.4 t -138.5 137.36 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.372 -0.83 . . . . 0.0 109.308 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.3 mt -87.23 131.59 34.17 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.418 -0.801 . . . . 0.0 109.444 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.521 ' O ' ' NE2' ' A' ' 119' ' ' GLN . 11.5 t90 -111.69 110.04 20.22 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 27.3 mt -128.06 148.4 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 O-C-N 121.416 -0.803 . . . . 0.0 110.193 -178.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.514 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 27.3 mttp -107.63 158.36 17.31 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 121.742 0.782 . . . . 0.0 110.102 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.42 -167.92 32.69 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.71 -6.59 38.41 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.641 -0.917 . . . . 0.0 110.786 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -129.89 33.81 4.36 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 120.998 -1.064 . . . . 0.0 110.81 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.431 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 73.98 -13.84 4.11 Favored Glycine 0 N--CA 1.496 2.658 0 O-C-N 121.069 -1.019 . . . . 0.0 111.265 178.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.07 107.84 0.29 Allowed Glycine 0 N--CA 1.487 2.084 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.514 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 6.5 m-20 -75.84 133.07 40.71 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.521 -0.987 . . . . 0.0 109.444 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.6 m-85 -129.73 130.24 45.19 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -103.54 117.73 35.11 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.243 -0.911 . . . . 0.0 110.096 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -105.81 132.2 52.22 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.9 t -123.78 134.22 53.68 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.517 -0.739 . . . . 0.0 109.604 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -133.52 88.39 2.48 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 141.54 -165.02 26.54 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 44.88 22.89 0.5 Allowed Glycine 0 N--CA 1.495 2.605 0 O-C-N 121.169 -1.195 . . . . 0.0 110.49 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 97' ' ' GLY . 11.0 m -50.66 -49.85 56.1 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.865 -1.374 . . . . 0.0 109.653 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.721 ' ND1' ' O1G' ' A' ' 1' ' ' ATP . 38.2 m80 -66.93 -43.95 81.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.18 -0.95 . . . . 0.0 109.838 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.459 HH21 HG22 ' A' ' 79' ' ' ILE . 7.2 ttp180 -57.24 -28.06 62.59 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.971 -1.081 . . . . 0.0 109.261 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -71.26 -43.63 66.85 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.046 -1.034 . . . . 0.0 108.715 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.75 -39.89 90.4 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.271 -0.893 . . . . 0.0 109.736 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.46 -49.24 72.22 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.116 -0.99 . . . . 0.0 109.364 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -64.61 -43.7 92.92 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.203 -0.935 . . . . 0.0 108.538 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -61.97 -45.79 92.09 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.36 -0.837 . . . . 0.0 109.434 -179.802 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.416 ' C ' ' H ' ' A' ' 109' ' ' GLN . 33.7 tt0 -58.56 -40.27 82.6 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.413 -0.805 . . . . 0.0 110.071 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.4 mt -73.03 11.78 0.64 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.092 -1.005 . . . . 0.0 109.77 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' A' ' 107' ' ' GLN . 6.2 tt0 44.92 46.25 8.93 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.36 -0.838 . . . . 0.0 110.157 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 -85.85 160.65 19.38 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.065 -1.022 . . . . 0.0 108.852 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -82.89 -41.66 18.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.388 -0.82 . . . . 0.0 110.774 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.647 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.0 p -134.01 177.33 7.82 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.953 -1.092 . . . . 0.0 110.939 -178.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.4 tt -139.65 140.95 26.48 Favored Pre-proline 0 N--CA 1.502 2.155 0 O-C-N 121.667 -0.646 . . . . 0.0 110.143 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -67.05 131.07 24.32 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 120.817 1.011 . . . . 0.0 110.66 177.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.24 134.15 13.94 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.151 -0.968 . . . . 0.0 109.495 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.72 119.61 21.48 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.307 -0.871 . . . . 0.0 108.991 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 51.9 mt -78.83 138.47 38.18 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.195 -0.941 . . . . 0.0 109.174 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 52.9 t -133.78 102.07 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.537 HE21 ' N ' ' A' ' 120' ' ' SER . 15.9 tp60 -58.28 123.63 16.73 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.219 -0.925 . . . . 0.0 108.973 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.537 ' N ' HE21 ' A' ' 119' ' ' GLN . 6.5 m -130.65 -178.97 5.02 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.473 -0.767 . . . . 0.0 109.685 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.7 p -118.11 160.63 21.2 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-O 121.487 0.66 . . . . 0.0 109.418 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 32.0 tp -54.82 -34.35 62.68 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.143 -0.973 . . . . 0.0 109.853 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 72.2 m -54.49 -47.63 72.79 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.959 -1.088 . . . . 0.0 109.534 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -55.21 -43.21 74.26 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.09 -1.006 . . . . 0.0 109.034 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.7 -38.8 82.61 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 120.898 -1.126 . . . . 0.0 108.796 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -56.65 -35.75 68.74 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.251 -0.905 . . . . 0.0 109.288 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 99.8 t -59.42 -33.34 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.078 -1.014 . . . . 0.0 108.394 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -90.3 -48.87 6.87 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.364 -0.835 . . . . 0.0 110.771 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 131' ' ' ALA . 69.5 mt -116.78 45.1 1.9 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.517 -0.74 . . . . 0.0 110.193 -178.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.52 38.24 0.1 OUTLIER Glycine 0 N--CA 1.49 2.239 0 N-CA-C 110.359 -1.096 . . . . 0.0 110.359 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -155.37 -53.76 0.09 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.818 -1.401 . . . . 0.0 109.388 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.0 t -100.28 36.81 1.79 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.208 -0.933 . . . . 0.0 109.229 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.82 118.84 74.68 Favored Pre-proline 0 N--CA 1.492 1.655 0 O-C-N 121.273 -0.892 . . . . 0.0 109.759 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -80.19 -174.84 2.42 Favored 'Trans proline' 0 N--CA 1.491 1.345 0 C-N-CA 121.84 1.693 . . . . 0.0 111.279 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.469 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 47.0 t0 -105.55 127.75 53.21 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.741 0.781 . . . . 0.0 109.016 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.533 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 97.5 mt -92.41 139.88 30.14 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.469 0.652 . . . . 0.0 110.17 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.533 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 61.9 mm-40 . . . . . 0 N--CA 1.497 1.914 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.371 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ATP . . . . . 1.009 ' N6 ' ' OG ' ' A' ' 64' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -162.51 152.86 14.05 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.269 -1.136 . . . . 0.0 109.104 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -72.73 175.23 10.57 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.329 2.019 . . . . 0.0 111.981 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -166.49 -103.74 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.254 -0.904 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -155.93 70.78 0.27 Allowed Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -82.23 168.7 14.85 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.787 2.325 . . . . 0.0 112.112 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.06 -170.29 36.85 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -46.08 120.53 3.68 Favored 'Trans proline' 0 C--N 1.307 -1.635 0 C-N-CA 122.852 2.368 . . . . 0.0 112.278 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.6 m -78.5 -20.08 51.58 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.212 -0.93 . . . . 0.0 109.443 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.86 100.45 1.12 Allowed Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.03 92.29 1.14 Allowed Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.63 -55.68 5.0 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.238 -1.154 . . . . 0.0 109.487 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -73.34 161.96 29.88 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.202 -0.936 . . . . 0.0 109.432 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -179.32 -160.07 24.46 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 52.76 -147.91 13.84 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.8 p -74.53 150.67 39.69 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.254 -1.144 . . . . 0.0 109.444 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.0 mt -68.5 -51.92 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.205 -0.935 . . . . 0.0 109.429 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.0 m170 -75.44 148.02 39.44 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.204 -0.935 . . . . 0.0 109.486 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 55.9 p -160.87 125.51 3.62 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.234 -0.916 . . . . 0.0 109.51 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.41 163.88 35.29 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -70.02 139.02 52.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.289 -1.124 . . . . 0.0 109.471 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.7 mt -143.67 97.6 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.171 -0.956 . . . . 0.0 108.995 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.84 88.37 6.18 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.519 -0.738 . . . . 0.0 109.532 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.04 -174.43 4.43 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.301 -0.874 . . . . 0.0 109.562 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.508 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 89.7 t -74.97 143.89 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 121.451 -0.781 . . . . 0.0 109.001 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 13.3 m-70 -152.01 145.05 24.53 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.275 -0.891 . . . . 0.0 109.837 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -84.66 94.09 8.56 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.0 p -86.77 125.21 67.66 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 121.154 -0.966 . . . . 0.0 109.298 -179.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.627 ' HA ' HG22 ' A' ' 112' ' ' THR . 71.6 Cg_exo -48.07 140.27 19.43 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 121.684 1.589 . . . . 0.0 113.314 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.25 -31.47 72.31 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.784 0.802 . . . . 0.0 109.502 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.4 p -63.88 -27.66 69.31 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.803 -0.56 . . . . 0.0 112.48 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.9 m -101.46 26.24 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.269 0 O-C-N 120.751 -1.218 . . . . 0.0 111.475 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 49' ' ' LEU . 73.3 mt -90.84 139.29 30.88 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.652 -1.28 . . . . 0.0 108.758 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.2 mt -106.95 116.74 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.56 -0.712 . . . . 0.0 109.902 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -133.33 95.24 18.48 Favored Pre-proline 0 N--CA 1.495 1.814 0 O-C-N 121.687 -0.633 . . . . 0.0 109.858 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -98.2 28.95 0.15 Allowed 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.987 2.458 . . . . 0.0 111.542 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.7 tt -141.9 88.23 9.52 Favored Pre-proline 0 N--CA 1.495 1.789 0 O-C-N 121.27 -0.894 . . . . 0.0 109.894 -178.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -48.01 169.19 0.08 OUTLIER 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.298 1.999 . . . . 0.0 111.917 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.6 m -158.19 164.67 36.32 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.071 -1.018 . . . . 0.0 110.081 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 56' ' ' VAL . 2.7 p -96.86 118.17 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 179.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.2 mt -100.52 146.58 26.92 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 122.04 0.924 . . . . 0.0 110.857 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.1 t70 -101.92 131.88 22.26 Favored Pre-proline 0 C--N 1.3 -1.573 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 178.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -74.75 -19.51 18.42 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 121.858 1.706 . . . . 0.0 112.576 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.525 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.39 -34.88 21.64 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.027 -1.046 . . . . 0.0 109.225 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.421 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 8.4 ttpt -74.12 -31.39 62.75 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.327 -0.858 . . . . 0.0 109.761 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.1 t -72.4 -35.89 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 120.988 -1.07 . . . . 0.0 109.063 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -64.48 -40.74 96.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.218 -0.926 . . . . 0.0 108.877 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.856 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 6.9 t -62.28 -37.68 86.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.236 -0.915 . . . . 0.0 109.364 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.6 mt -75.79 -44.76 39.76 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.287 -0.883 . . . . 0.0 109.046 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 37.5 t -55.49 -33.08 31.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -76.44 -37.56 56.79 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.383 -0.823 . . . . 0.0 110.111 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.6 m -65.21 -51.54 60.3 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.06 -1.025 . . . . 0.0 109.519 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.9 mt -56.18 -41.62 70.34 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.215 -0.928 . . . . 0.0 108.672 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.505 ' NE ' ' CD2' ' A' ' 108' ' ' LEU . 68.3 mtt180 -77.43 -27.29 52.2 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.345 -0.847 . . . . 0.0 110.475 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -90.09 -36.24 14.99 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.763 -1.21 . . . . 0.0 109.645 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -157.55 101.25 1.85 Allowed Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.231 -0.918 . . . . 0.0 109.282 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.48 -17.05 34.55 Favored 'Trans proline' 0 N--CA 1.496 1.63 0 C-N-CA 121.354 1.369 . . . . 0.0 113.07 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' A' ' 76' ' ' VAL . 43.1 m-20 -84.25 -28.24 27.35 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.855 -1.153 . . . . 0.0 110.286 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.6 m -74.65 17.39 0.21 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.898 -1.126 . . . . 0.0 109.412 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.462 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.2 t -131.2 104.39 15.06 Favored Pre-proline 0 N--CA 1.498 1.934 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -74.14 162.35 38.96 Favored 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 121.655 1.57 . . . . 0.0 112.931 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.21 169.45 20.66 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.79 2.327 . . . . 0.0 111.955 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.426 HG22 ' NH2' ' A' ' 101' ' ' ARG . 8.3 pt -106.7 165.08 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.61 -0.681 . . . . 0.0 109.754 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 80' ' ' ASP . 1.3 p-10 -88.27 132.93 34.19 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.7 t -136.47 135.21 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.28 -0.888 . . . . 0.0 109.668 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.9 mt -85.17 135.58 33.9 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.642 0.734 . . . . 0.0 109.153 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 8.4 t90 -115.7 115.97 27.27 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.4 mt -133.09 143.98 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 O-C-N 121.023 -1.048 . . . . 0.0 110.343 -178.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.502 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 0.6 OUTLIER -103.22 156.9 17.38 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.532 0.682 . . . . 0.0 109.606 -179.089 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.26 -167.81 31.54 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.866 -1.293 . . . . 0.0 109.866 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.63 -6.08 38.31 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.585 -0.95 . . . . 0.0 110.729 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -130.48 38.91 3.69 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 120.998 -1.064 . . . . 0.0 110.896 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.63 -13.13 1.27 Allowed Glycine 0 N--CA 1.493 2.447 0 O-C-N 121.173 -0.954 . . . . 0.0 111.746 178.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.518 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -51.62 109.14 0.74 Allowed Glycine 0 N--CA 1.486 2.009 0 O-C-N 120.764 -1.433 . . . . 0.0 109.632 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.502 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 5.3 m-20 -78.07 134.45 37.74 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.421 -1.046 . . . . 0.0 108.968 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.518 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.1 m-85 -128.44 126.01 39.69 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -100.77 121.35 41.52 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.211 -0.931 . . . . 0.0 109.992 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -108.81 132.55 53.88 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.718 -0.614 . . . . 0.0 109.694 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.3 130.26 52.49 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.586 -0.696 . . . . 0.0 109.307 178.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -131.08 90.01 2.82 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.13 -1.434 . . . . 0.0 107.13 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 135.97 -162.54 25.01 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 108.449 -1.86 . . . . 0.0 108.449 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.606 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 45.35 16.41 0.1 OUTLIER Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.673 ' HB2' ' O1G' ' A' ' 1' ' ' ATP . 6.8 m -49.69 -48.98 49.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.164 -1.198 . . . . 0.0 109.977 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.703 ' H ' ' PG ' ' A' ' 1' ' ' ATP . 39.2 m80 -67.04 -43.72 82.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.032 -1.042 . . . . 0.0 109.644 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.426 ' NH2' HG22 ' A' ' 79' ' ' ILE . 27.9 mtm180 -60.05 -29.31 68.45 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.924 -1.11 . . . . 0.0 109.056 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -68.92 -42.09 77.25 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.98 90.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.296 -0.878 . . . . 0.0 109.528 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.3 93.6 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.168 -0.957 . . . . 0.0 109.449 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -67.5 -44.26 78.89 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.242 -0.912 . . . . 0.0 108.759 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -60.09 -50.95 71.67 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.347 -0.846 . . . . 0.0 109.509 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.467 ' C ' ' H ' ' A' ' 109' ' ' GLN . 15.1 tm0? -56.6 -42.89 79.53 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.371 -0.831 . . . . 0.0 110.143 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.505 ' CD2' ' NE ' ' A' ' 70' ' ' ARG . 86.9 mt -67.61 7.77 0.44 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.102 -0.999 . . . . 0.0 109.621 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.467 ' H ' ' C ' ' A' ' 107' ' ' GLN . 6.1 tt0 45.45 42.51 7.79 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.332 -0.855 . . . . 0.0 110.109 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 27.0 mmt-85 -80.66 159.96 25.17 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.051 -1.031 . . . . 0.0 108.779 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -81.17 -41.49 22.3 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.447 -0.783 . . . . 0.0 110.624 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.627 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.4 p -133.44 177.86 7.36 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 120.973 -1.079 . . . . 0.0 110.975 -178.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.6 tt -138.93 141.1 29.12 Favored Pre-proline 0 N--CA 1.502 2.15 0 O-C-N 121.709 -0.619 . . . . 0.0 109.921 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.12 131.69 25.9 Favored 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 120.926 1.084 . . . . 0.0 110.89 177.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.92 134.56 13.62 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.113 -0.992 . . . . 0.0 109.728 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.2 115.41 18.85 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.402 -0.811 . . . . 0.0 109.283 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 52.8 mt -79.66 134.35 36.42 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.018 -1.051 . . . . 0.0 109.53 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 44.0 t -138.15 101.64 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.759 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 0.1 OUTLIER -53.07 133.63 38.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.151 -0.968 . . . . 0.0 109.603 -179.4 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -134.64 -177.77 4.76 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.0 p -116.45 159.0 22.66 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-O 121.718 0.77 . . . . 0.0 109.826 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 30.2 tp -55.28 -28.91 56.66 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.242 -0.911 . . . . 0.0 109.69 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 73.6 m -58.39 -48.05 81.89 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.959 -1.088 . . . . 0.0 109.319 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.16 -38.43 68.29 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.142 -0.974 . . . . 0.0 108.587 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 125' ' ' LEU . 6.0 tp -66.06 -31.83 72.94 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.9 -1.125 . . . . 0.0 109.095 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -62.32 -35.58 79.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.922 -1.111 . . . . 0.0 108.965 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.78 -34.86 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 O-C-N 121.191 -0.943 . . . . 0.0 108.599 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -90.16 -47.84 7.55 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.274 -0.891 . . . . 0.0 110.949 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 131' ' ' ALA . 65.9 mt -117.29 43.99 2.21 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.505 -0.747 . . . . 0.0 110.481 -177.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.91 37.9 0.1 Allowed Glycine 0 N--CA 1.488 2.109 0 C-N-CA 119.896 -1.145 . . . . 0.0 110.346 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.546 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.62 -54.83 0.11 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.882 -1.364 . . . . 0.0 109.306 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.4 p -99.86 35.26 2.07 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.254 -0.904 . . . . 0.0 109.223 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.62 121.39 85.14 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.316 -0.865 . . . . 0.0 109.455 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -79.59 -173.95 2.07 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.093 1.862 . . . . 0.0 111.786 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.561 ' C ' HE21 ' A' ' 137' ' ' GLN . 41.6 t0 -110.29 95.75 5.78 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.504 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.9 mt -61.7 141.43 57.85 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 121.704 0.764 . . . . 0.0 110.799 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.561 HE21 ' C ' ' A' ' 135' ' ' ASP . 71.2 mm-40 . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.136 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ATP . . . . . 0.856 ' N6 ' ' OG ' ' A' ' 64' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.469 -1.453 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.32 153.12 70.13 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.266 -1.138 . . . . 0.0 109.108 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -36.83 127.09 0.47 Allowed 'Trans proline' 0 C--N 1.314 -1.26 0 C-N-CA 122.418 2.079 . . . . 0.0 112.425 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -166.66 167.09 15.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.217 -0.927 . . . . 0.0 109.472 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -174.54 -68.52 0.05 OUTLIER Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.2 173.62 14.2 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.794 2.33 . . . . 0.0 111.997 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 175.56 60.29 0.06 OUTLIER Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.479 ' C ' ' H ' ' A' ' 26' ' ' GLY . 72.2 Cg_endo -75.54 134.92 17.49 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.752 2.301 . . . . 0.0 111.955 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 69.1 m -72.64 37.37 0.08 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.253 -0.905 . . . . 0.0 109.47 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.479 ' H ' ' C ' ' A' ' 24' ' ' PRO . . . -65.4 94.96 0.2 Allowed Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.54 -82.28 0.08 OUTLIER Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.06 -54.56 5.88 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.275 -1.132 . . . . 0.0 109.467 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -143.2 -105.14 0.13 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.314 -0.866 . . . . 0.0 109.221 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 160.77 -136.76 4.62 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.16 -155.36 40.21 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.1 m -160.73 135.71 7.66 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.206 -1.173 . . . . 0.0 109.445 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.662 ' H ' HD13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -86.56 87.79 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.215 -0.928 . . . . 0.0 108.976 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -170.02 78.55 0.1 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.255 -0.903 . . . . 0.0 109.481 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -170.01 -22.4 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.218 -0.926 . . . . 0.0 109.511 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.01 -59.77 2.22 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' CG ' ' N ' ' A' ' 38' ' ' ILE . 51.0 ttp180 -49.65 162.11 0.18 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.228 -1.16 . . . . 0.0 109.451 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.405 ' N ' ' CG ' ' A' ' 37' ' ' ARG . 20.8 mt -143.07 97.72 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.262 -0.898 . . . . 0.0 109.097 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.13 109.06 20.9 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.607 -0.683 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -151.94 -174.92 5.02 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.254 -0.904 . . . . 0.0 109.793 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.52 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 89.1 t -75.66 144.6 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.495 -0.753 . . . . 0.0 109.083 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.52 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 15.0 m-70 -152.5 143.02 22.71 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.343 -0.848 . . . . 0.0 109.583 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -80.21 93.72 5.92 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.5 p -86.18 123.82 71.12 Favored Pre-proline 0 N--CA 1.496 1.83 0 O-C-N 121.219 -0.926 . . . . 0.0 109.283 -179.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.642 ' HA ' HG22 ' A' ' 112' ' ' THR . 86.4 Cg_exo -47.18 141.72 12.78 Favored 'Trans proline' 0 N--CA 1.498 1.784 0 C-N-CA 121.859 1.706 . . . . 0.0 113.624 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 mt -68.54 -29.34 67.89 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.495 -0.753 . . . . 0.0 109.24 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 t -72.18 -12.81 61.35 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.475 -0.765 . . . . 0.0 112.707 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.0 m -112.79 25.59 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.282 0 O-C-N 120.625 -1.297 . . . . 0.0 110.752 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.2 mt -95.63 133.31 39.83 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.831 -1.168 . . . . 0.0 109.085 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 97.0 mt -99.0 116.62 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.388 -0.82 . . . . 0.0 109.503 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -132.57 96.13 19.23 Favored Pre-proline 0 N--CA 1.498 1.93 0 O-C-N 121.583 -0.698 . . . . 0.0 109.536 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.679 ' O ' HD12 ' A' ' 53' ' ' LEU . 20.4 Cg_endo -96.93 26.82 0.22 Allowed 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 123.137 2.558 . . . . 0.0 112.347 179.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.679 HD12 ' O ' ' A' ' 52' ' ' PRO . 1.4 mp -138.95 114.02 8.43 Favored Pre-proline 0 N--CA 1.499 1.975 0 O-C-N 121.285 -0.884 . . . . 0.0 108.979 -178.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.93 165.11 28.94 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 121.795 1.663 . . . . 0.0 111.712 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.6 m -149.23 165.5 31.71 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.061 -1.024 . . . . 0.0 109.904 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.8 t -95.9 109.82 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.0 mt -89.26 146.59 24.63 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-O 122.227 1.013 . . . . 0.0 110.965 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.6 t70 -104.86 133.93 19.9 Favored Pre-proline 0 C--N 1.3 -1.587 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 178.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.55 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 68.7 Cg_endo -73.64 -23.63 16.75 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.775 1.65 . . . . 0.0 112.713 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.488 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -81.63 -34.27 30.94 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.855 -1.153 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -75.63 -30.49 59.52 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.464 -0.772 . . . . 0.0 110.049 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.8 t -73.14 -51.45 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 120.818 -1.176 . . . . 0.0 108.33 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -50.28 -40.28 47.82 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.44 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.626 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 37.6 t -61.54 -41.01 96.71 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.256 -0.903 . . . . 0.0 109.445 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.2 mt -74.17 -46.16 43.99 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.303 -0.873 . . . . 0.0 108.892 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.0 t -55.72 -34.13 35.58 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.207 -0.933 . . . . 0.0 108.601 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -76.25 -33.71 59.17 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.421 -0.799 . . . . 0.0 109.532 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.8 m -67.33 -51.42 52.65 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.192 -0.943 . . . . 0.0 109.43 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.2 mt -58.56 -40.79 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.38 -0.825 . . . . 0.0 109.267 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -76.93 -32.84 57.64 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.203 -0.935 . . . . 0.0 110.298 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -88.96 -33.94 17.05 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.835 -1.165 . . . . 0.0 110.323 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.429 ' OD2' ' OD2' ' A' ' 74' ' ' ASP . 22.5 t70 -158.4 97.39 1.8 Allowed Pre-proline 0 N--CA 1.492 1.661 0 O-C-N 121.158 -0.964 . . . . 0.0 109.509 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.04 -1.57 11.58 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 121.693 1.595 . . . . 0.0 112.951 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 76' ' ' VAL . 1.5 p-10 -88.94 -41.71 12.24 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.944 -1.098 . . . . 0.0 110.054 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.5 t -71.96 24.45 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.067 -1.021 . . . . 0.0 109.86 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.483 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.4 t -126.97 102.82 24.2 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 121.254 -0.904 . . . . 0.0 108.692 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -77.5 162.2 30.73 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.767 1.644 . . . . 0.0 112.934 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.72 170.97 19.08 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 122.782 2.322 . . . . 0.0 112.144 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.428 HG22 HH21 ' A' ' 101' ' ' ARG . 7.3 pt -107.18 167.4 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.663 -0.648 . . . . 0.0 109.47 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 81' ' ' VAL . 13.6 t0 -91.63 137.84 32.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.204 -0.935 . . . . 0.0 108.553 179.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.44 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 16.1 t -138.69 137.86 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.531 -0.73 . . . . 0.0 109.219 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.2 mt -86.83 127.35 35.02 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.467 -0.771 . . . . 0.0 109.884 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -106.32 111.41 23.98 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.2 mt -126.47 145.01 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.38 -0.825 . . . . 0.0 110.087 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.585 ' HZ3' ' CG ' ' A' ' 91' ' ' ASP . 2.2 tttp -104.01 156.21 18.04 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.486 0.66 . . . . 0.0 110.292 -178.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.18 -174.68 37.58 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.45 -6.25 18.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.681 -0.893 . . . . 0.0 110.893 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -130.25 37.93 3.83 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.057 -1.027 . . . . 0.0 110.772 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 71.21 -13.23 2.04 Favored Glycine 0 N--CA 1.492 2.404 0 O-C-N 121.079 -1.013 . . . . 0.0 111.58 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.421 ' O ' ' CE1' ' A' ' 92' ' ' TYR . . . -50.94 111.1 1.14 Allowed Glycine 0 N--CA 1.486 1.999 0 O-C-N 120.785 -1.421 . . . . 0.0 109.598 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.585 ' CG ' ' HZ3' ' A' ' 85' ' ' LYS . 14.2 m-20 -79.76 133.0 36.3 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.539 -0.977 . . . . 0.0 109.963 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.421 ' CE1' ' O ' ' A' ' 90' ' ' GLY . 94.8 m-85 -126.05 149.29 48.97 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -122.66 119.14 29.86 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.283 -0.886 . . . . 0.0 110.263 -178.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -108.41 131.92 54.29 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.0 t -125.82 134.74 51.57 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -133.82 88.4 2.47 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 141.96 -161.64 27.14 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 108.977 -1.649 . . . . 0.0 108.977 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.05 24.99 0.9 Allowed Glycine 0 N--CA 1.494 2.551 0 O-C-N 121.247 -1.149 . . . . 0.0 110.357 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.555 ' SG ' ' O3G' ' A' ' 1' ' ' ATP . 4.9 m -52.2 -51.23 59.4 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.904 -1.351 . . . . 0.0 109.73 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.669 ' ND1' ' O1G' ' A' ' 1' ' ' ATP . 48.7 m80 -67.83 -49.26 63.2 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.261 -0.9 . . . . 0.0 109.727 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.428 HH21 HG22 ' A' ' 79' ' ' ILE . 8.6 ttp180 -53.74 -29.81 41.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.028 -1.045 . . . . 0.0 109.208 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -70.75 -42.83 69.94 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.129 -0.982 . . . . 0.0 108.795 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.34 -48.31 82.13 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.265 -0.897 . . . . 0.0 109.88 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.11 -44.47 74.99 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.042 -1.036 . . . . 0.0 109.322 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -69.36 -41.4 76.62 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.306 -0.872 . . . . 0.0 108.992 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -64.42 -34.73 78.85 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.215 -0.928 . . . . 0.0 110.038 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.486 ' C ' ' H ' ' A' ' 109' ' ' GLN . 55.3 tt0 -73.0 -41.93 63.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.2 -0.938 . . . . 0.0 109.836 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.83 9.31 0.19 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.304 -0.873 . . . . 0.0 109.896 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.486 ' H ' ' C ' ' A' ' 107' ' ' GLN . 19.0 tp60 46.57 43.17 12.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.225 -0.922 . . . . 0.0 109.898 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -82.52 159.17 22.89 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.169 -0.957 . . . . 0.0 108.977 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.417 ' CD ' ' N ' ' A' ' 111' ' ' GLU . 16.4 mp0 -82.51 -40.65 20.74 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.406 -0.809 . . . . 0.0 110.839 -179.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.642 HG22 ' HA ' ' A' ' 45' ' ' PRO . 36.4 p -133.86 177.88 7.38 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.981 -1.074 . . . . 0.0 110.757 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.21 141.11 28.37 Favored Pre-proline 0 N--CA 1.503 2.199 0 O-C-N 121.688 -0.633 . . . . 0.0 110.013 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.38 130.27 23.44 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 120.919 1.079 . . . . 0.0 110.917 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.52 133.32 14.01 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.137 -0.977 . . . . 0.0 109.626 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -78.98 111.74 15.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.361 -0.837 . . . . 0.0 108.854 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 65.9 mt -71.82 138.56 48.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.931 -1.106 . . . . 0.0 109.16 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.0 t -133.88 101.94 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.547 HE21 ' N ' ' A' ' 120' ' ' SER . 1.6 tm0? -55.43 126.58 25.74 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.205 -0.935 . . . . 0.0 109.068 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.547 ' N ' HE21 ' A' ' 119' ' ' GLN . 6.0 m -134.28 -179.41 5.55 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.398 -0.814 . . . . 0.0 109.646 -179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.7 p -119.07 160.26 22.38 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 121.568 0.699 . . . . 0.0 109.498 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.2 tp -55.5 -26.09 40.8 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.175 -0.953 . . . . 0.0 109.941 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.8 t -61.27 -49.47 76.94 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.888 -1.132 . . . . 0.0 109.683 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -55.05 -41.07 70.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.088 -1.007 . . . . 0.0 109.018 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.9 tp -59.55 -39.55 84.4 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 120.907 -1.121 . . . . 0.0 108.928 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.3 ttm105 -56.31 -36.93 69.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.167 -0.958 . . . . 0.0 109.249 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 97.4 t -58.63 -33.13 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 O-C-N 121.175 -0.953 . . . . 0.0 108.506 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -90.6 -48.65 6.95 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.262 -0.899 . . . . 0.0 110.828 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' A' ' 131' ' ' ALA . 65.6 mt -117.48 45.25 1.96 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.473 -0.767 . . . . 0.0 110.211 -178.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.71 38.89 0.1 Allowed Glycine 0 N--CA 1.489 2.215 0 C-N-CA 119.989 -1.101 . . . . 0.0 110.381 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.54 -58.05 0.12 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.806 -1.408 . . . . 0.0 109.519 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.8 m -98.95 36.94 1.6 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.118 -0.989 . . . . 0.0 109.233 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.62 118.66 71.86 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.286 -0.884 . . . . 0.0 109.797 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -79.4 -174.32 2.23 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.87 1.713 . . . . 0.0 111.32 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.477 ' OD1' ' NE2' ' A' ' 137' ' ' GLN . 42.0 t0 -108.0 127.66 53.96 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.434 -0.791 . . . . 0.0 109.045 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.521 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 96.7 mt -92.61 138.84 31.15 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.42 0.629 . . . . 0.0 110.197 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.521 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 57.5 mm-40 . . . . . 0 N--CA 1.495 1.793 0 CA-C-O 117.878 -1.058 . . . . 0.0 109.044 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ATP . . . . . 0.669 ' O1G' ' ND1' ' A' ' 100' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.31 152.84 88.09 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 121.253 -1.145 . . . . 0.0 109.08 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -72.76 -161.98 0.12 Allowed 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 122.313 2.009 . . . . 0.0 111.942 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -153.13 152.84 31.74 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.272 -0.892 . . . . 0.0 109.369 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.86 170.32 0.17 Allowed Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.24 99.61 1.28 Allowed 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.806 2.337 . . . . 0.0 111.991 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.19 -169.45 0.36 Allowed Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -46.11 161.86 0.14 Allowed 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.812 2.341 . . . . 0.0 112.28 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.1 t -78.85 -165.48 0.74 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.274 -0.891 . . . . 0.0 109.449 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.93 -159.33 22.55 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.23 140.46 3.66 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.64 -34.01 53.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.283 -1.128 . . . . 0.0 109.477 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -74.83 54.62 0.65 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.253 -0.904 . . . . 0.0 109.485 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 174.05 -72.83 0.09 OUTLIER Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.58 -16.61 7.71 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 t -167.81 126.36 1.24 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.285 -1.126 . . . . 0.0 109.484 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.524 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 20.4 pt -73.72 -171.41 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.213 -0.929 . . . . 0.0 109.46 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 33' ' ' ILE . 49.1 m80 -159.6 114.89 2.43 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.244 -0.91 . . . . 0.0 109.449 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.7 p -74.22 -103.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.301 -0.874 . . . . 0.0 109.473 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.81 83.03 0.12 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.31 96.17 0.64 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.226 -1.161 . . . . 0.0 109.431 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.3 mt -143.9 97.47 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.285 -0.884 . . . . 0.0 108.959 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.91 86.91 7.2 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.502 -0.749 . . . . 0.0 109.495 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.27 -174.18 4.38 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.371 -0.831 . . . . 0.0 109.397 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.463 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 90.2 t -74.65 142.66 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.431 -0.793 . . . . 0.0 109.01 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 11.3 m-70 -150.01 145.73 26.59 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.438 -0.789 . . . . 0.0 109.786 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -84.62 94.21 8.56 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.427 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.1 p -87.81 125.0 66.24 Favored Pre-proline 0 N--CA 1.497 1.888 0 O-C-N 121.185 -0.947 . . . . 0.0 109.198 -179.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.64 ' HA ' HG22 ' A' ' 112' ' ' THR . 71.4 Cg_exo -48.23 140.12 20.49 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 121.78 1.653 . . . . 0.0 113.524 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.48 -31.7 72.6 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.834 0.826 . . . . 0.0 109.298 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.9 p -62.03 -28.46 69.6 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.806 -0.558 . . . . 0.0 112.146 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.8 m -101.62 24.97 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 120.85 -1.156 . . . . 0.0 111.393 -178.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.3 mt -91.86 126.18 36.85 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.698 -1.251 . . . . 0.0 108.867 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.8 mt -93.95 118.68 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.401 -0.812 . . . . 0.0 110.194 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -134.15 95.33 16.89 Favored Pre-proline 0 N--CA 1.494 1.77 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -97.43 30.53 0.15 Allowed 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 123.103 2.535 . . . . 0.0 112.004 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tp -140.55 124.72 10.63 Favored Pre-proline 0 N--CA 1.498 1.942 0 O-C-N 121.212 -0.93 . . . . 0.0 109.066 -178.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -76.55 167.12 26.13 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.94 1.76 . . . . 0.0 111.787 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.9 m -155.78 162.12 40.55 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.06 -1.025 . . . . 0.0 109.879 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 56' ' ' VAL . 2.8 p -99.81 116.98 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.2 mt -98.67 145.89 26.42 Favored 'General case' 0 N--CA 1.494 1.771 0 CA-C-O 122.234 1.016 . . . . 0.0 110.826 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -100.81 133.56 21.05 Favored Pre-proline 0 C--N 1.298 -1.636 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.095 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -75.74 -16.75 18.45 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 122.002 1.801 . . . . 0.0 113.145 -178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.541 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -86.89 -43.02 12.75 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.999 -1.063 . . . . 0.0 109.994 -179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -70.66 -31.88 68.95 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.269 -0.894 . . . . 0.0 109.677 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.7 t -68.4 -35.94 72.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.922 -1.111 . . . . 0.0 108.968 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -66.73 -35.6 80.49 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.545 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 36.0 t -65.94 -38.0 87.5 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.34 -0.85 . . . . 0.0 109.216 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.54 -46.63 30.99 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.235 -0.915 . . . . 0.0 108.68 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.7 t -55.17 -34.64 33.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.72 -33.43 58.17 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.467 -0.771 . . . . 0.0 109.622 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.0 m -67.61 -51.74 46.67 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.145 -0.972 . . . . 0.0 109.402 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.625 ' CG2' HH12 ' A' ' 110' ' ' ARG . 16.7 mt -57.9 -41.4 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.376 -0.827 . . . . 0.0 109.151 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.498 ' NE ' HD22 ' A' ' 108' ' ' LEU . 59.7 mtt180 -77.04 -32.56 57.02 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.276 -0.89 . . . . 0.0 110.373 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -86.11 -35.66 20.07 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.845 -1.159 . . . . 0.0 109.855 -179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -159.41 100.67 1.54 Allowed Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.231 -0.918 . . . . 0.0 109.439 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.6 -8.7 21.94 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.522 1.482 . . . . 0.0 113.175 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.41 ' C ' ' H ' ' A' ' 76' ' ' VAL . 51.3 m-20 -86.39 -29.99 22.48 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.788 -1.195 . . . . 0.0 110.436 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.3 p -77.9 21.27 0.32 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.862 -1.148 . . . . 0.0 109.401 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.41 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.1 t -126.98 103.83 23.36 Favored Pre-proline 0 N--CA 1.499 2.003 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -75.9 162.21 35.1 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 121.75 1.633 . . . . 0.0 113.031 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.18 172.37 16.14 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.852 2.368 . . . . 0.0 112.116 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 pt -112.5 165.91 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -88.82 135.58 33.45 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.266 -0.896 . . . . 0.0 108.731 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.0 t -136.96 138.74 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.438 -0.789 . . . . 0.0 109.191 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 mt -86.53 127.76 34.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.467 -0.771 . . . . 0.0 110.122 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -104.34 111.06 23.54 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 84' ' ' ILE . 19.1 mt -127.82 140.75 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.358 -0.839 . . . . 0.0 109.74 -179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.618 ' HZ1' ' CG ' ' A' ' 91' ' ' ASP . 4.9 tttp -104.62 156.35 18.05 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.681 -0.637 . . . . 0.0 109.478 -179.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.74 -169.79 31.25 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.6 -7.15 36.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.699 -0.883 . . . . 0.0 110.778 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -129.91 39.3 3.71 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.07 -1.019 . . . . 0.0 110.806 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.433 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 67.67 -10.98 0.95 Allowed Glycine 0 N--CA 1.493 2.48 0 O-C-N 121.125 -0.984 . . . . 0.0 111.674 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -51.99 109.47 0.86 Allowed Glycine 0 N--CA 1.487 2.053 0 O-C-N 120.739 -1.448 . . . . 0.0 109.712 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.618 ' CG ' ' HZ1' ' A' ' 85' ' ' LYS . 3.9 m-20 -77.49 134.3 38.37 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.423 -1.045 . . . . 0.0 109.053 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.1 m-85 -128.95 125.41 37.43 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -102.2 117.26 34.39 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.256 -0.902 . . . . 0.0 110.136 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -105.6 134.11 49.24 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.69 135.79 52.5 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.521 -0.737 . . . . 0.0 109.279 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -135.51 90.63 2.63 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 135.51 -162.53 24.89 Favored Glycine 0 N--CA 1.496 2.638 0 N-CA-C 108.754 -1.739 . . . . 0.0 108.754 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.616 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 45.2 24.91 0.99 Allowed Glycine 0 N--CA 1.495 2.573 0 O-C-N 121.16 -1.2 . . . . 0.0 110.372 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.5 m -58.09 -55.54 33.59 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.913 -1.345 . . . . 0.0 109.93 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -55.24 -39.74 70.1 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.04 -1.037 . . . . 0.0 109.596 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.708 ' NH2' ' O1A' ' A' ' 1' ' ' ATP . 43.7 mtm180 -67.46 -31.16 71.13 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.016 -1.053 . . . . 0.0 109.435 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 102' ' ' TYR . 14.5 t80 -66.86 -42.17 86.08 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.955 -1.091 . . . . 0.0 108.515 179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.07 -42.77 95.28 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.327 -0.858 . . . . 0.0 109.723 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.13 -46.36 89.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.188 -0.945 . . . . 0.0 109.531 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -68.9 -41.74 77.82 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.183 -0.948 . . . . 0.0 109.057 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -33.32 75.22 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.268 -0.895 . . . . 0.0 109.38 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.459 ' C ' ' H ' ' A' ' 109' ' ' GLN . 29.1 tt0 -70.89 -41.95 70.65 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.342 -0.849 . . . . 0.0 109.514 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.498 HD22 ' NE ' ' A' ' 70' ' ' ARG . 93.4 mt -72.05 12.67 0.38 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.208 -0.932 . . . . 0.0 109.444 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.459 ' H ' ' C ' ' A' ' 107' ' ' GLN . 50.1 mm-40 46.82 32.96 1.95 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.384 -0.822 . . . . 0.0 110.267 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.625 HH12 ' CG2' ' A' ' 69' ' ' ILE . 21.7 mmt85 -68.76 156.33 38.5 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.927 -1.108 . . . . 0.0 108.58 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.406 ' CD ' ' N ' ' A' ' 111' ' ' GLU . 5.5 mp0 -80.75 -41.02 24.21 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.406 -0.809 . . . . 0.0 110.694 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.64 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.0 p -133.95 177.4 7.75 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.031 -1.043 . . . . 0.0 110.58 -178.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.58 141.44 28.34 Favored Pre-proline 0 N--CA 1.503 2.179 0 O-C-N 121.742 -0.599 . . . . 0.0 109.718 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -67.47 130.23 21.87 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 CA-C-N 120.018 1.042 . . . . 0.0 110.754 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -149.0 133.38 17.51 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.198 -0.939 . . . . 0.0 109.713 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -78.52 115.37 18.18 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.522 -0.736 . . . . 0.0 109.169 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 49.3 mt -80.55 135.09 36.03 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.082 -1.012 . . . . 0.0 109.292 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 64.4 t -136.21 111.8 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.467 -0.771 . . . . 0.0 109.025 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.6 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -49.77 131.66 21.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.228 -0.92 . . . . 0.0 109.422 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.4 m -134.27 -179.53 5.63 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.481 -0.762 . . . . 0.0 109.141 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.1 p -127.89 160.68 31.08 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.594 -0.691 . . . . 0.0 109.338 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.4 tp -55.89 -36.5 67.71 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.17 -0.956 . . . . 0.0 109.746 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.3 t -54.54 -45.98 73.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.883 -1.135 . . . . 0.0 109.505 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.22 -46.93 75.96 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.144 -0.973 . . . . 0.0 108.462 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.1 tp -58.86 -38.41 78.7 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.97 -1.081 . . . . 0.0 108.952 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 44.9 ttt-85 -56.59 -35.33 68.09 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.223 -0.923 . . . . 0.0 109.211 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 81.6 t -59.44 -33.72 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -90.47 -48.7 6.94 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.301 -0.874 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 131' ' ' ALA . 65.9 mt -115.7 44.12 1.95 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.431 -0.793 . . . . 0.0 110.319 -178.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.79 39.0 0.1 Allowed Glycine 0 N--CA 1.488 2.131 0 C-N-CA 119.944 -1.122 . . . . 0.0 110.37 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.6 -57.77 0.12 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.806 -1.408 . . . . 0.0 109.623 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.4 m -98.72 36.55 1.64 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.077 -1.015 . . . . 0.0 109.26 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.1 119.04 75.07 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.404 -0.81 . . . . 0.0 109.884 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -81.33 -174.33 2.16 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.029 1.819 . . . . 0.0 111.422 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.468 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 46.1 t0 -106.09 130.18 54.04 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.425 -0.797 . . . . 0.0 109.001 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.531 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.1 mt -89.84 137.06 32.65 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.525 0.678 . . . . 0.0 110.331 -179.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 61.6 mm-40 . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.289 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ATP . . . . . 0.708 ' O1A' ' NH2' ' A' ' 101' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -167.91 153.23 6.78 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.215 -1.168 . . . . 0.0 109.059 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -36.93 -68.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.314 -1.257 0 C-N-CA 122.446 2.097 . . . . 0.0 112.42 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -75.64 97.15 3.72 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.266 -0.896 . . . . 0.0 109.474 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.99 -59.89 9.98 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -45.87 136.49 13.31 Favored 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.748 2.299 . . . . 0.0 112.239 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.7 -178.01 25.04 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -46.11 -67.65 0.11 Allowed 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.758 2.305 . . . . 0.0 112.3 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.8 t -76.92 -173.13 2.57 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.229 -0.919 . . . . 0.0 109.432 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.92 39.19 0.02 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.77 -149.48 6.21 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.94 -16.9 56.35 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -1.149 . . . . 0.0 109.499 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.44 ' C ' ' H ' ' A' ' 31' ' ' GLY . 27.8 mt-30 -58.0 -47.37 83.22 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.247 -0.908 . . . . 0.0 109.504 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -76.32 29.74 1.42 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 29' ' ' GLN . . . -78.85 2.49 68.64 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 31' ' ' GLY . 29.5 m -50.6 177.82 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.181 -1.188 . . . . 0.0 109.472 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.49 HG23 ' N ' ' A' ' 34' ' ' HIS . 15.6 tt -169.84 -40.14 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.29 -0.881 . . . . 0.0 109.47 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.49 ' N ' HG23 ' A' ' 33' ' ' ILE . 79.6 m-70 -79.28 100.47 7.56 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.273 -0.892 . . . . 0.0 109.472 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.1 m -170.03 117.12 0.55 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.253 -0.904 . . . . 0.0 109.482 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 160.37 12.46 0.04 OUTLIER Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.459 -1.457 . . . . 0.0 109.459 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -170.05 146.7 3.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.274 -1.133 . . . . 0.0 109.471 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.2 mt -143.52 97.64 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.217 -0.927 . . . . 0.0 109.025 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.14 91.99 7.06 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.461 -0.774 . . . . 0.0 109.386 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.32 -174.12 4.12 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.336 -0.852 . . . . 0.0 109.384 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.2 t -74.62 141.35 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.344 -0.847 . . . . 0.0 108.787 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -145.88 147.58 31.93 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.23 -0.918 . . . . 0.0 109.781 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -84.3 93.09 8.15 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.6 p -88.05 122.61 69.87 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.188 -0.945 . . . . 0.0 108.672 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.664 ' HA ' HG22 ' A' ' 112' ' ' THR . 56.7 Cg_exo -47.06 143.02 10.53 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 121.683 1.588 . . . . 0.0 113.39 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.2 mt -69.98 -29.59 66.73 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.262 -0.899 . . . . 0.0 109.174 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.1 t -71.64 -12.22 61.23 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.516 -0.74 . . . . 0.0 112.54 -177.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 m -113.84 26.22 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.239 0 O-C-N 120.652 -1.28 . . . . 0.0 110.674 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.4 mt -97.78 123.46 41.73 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.974 -1.079 . . . . 0.0 108.908 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.2 mt -87.93 118.88 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.255 -0.903 . . . . 0.0 109.992 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.0 mtp-105 -133.96 93.44 20.28 Favored Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 121.759 -0.588 . . . . 0.0 109.508 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -99.38 29.52 0.13 Allowed 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 123.169 2.58 . . . . 0.0 112.175 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tt -142.03 88.15 9.42 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 121.155 -0.966 . . . . 0.0 109.897 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -48.64 169.51 0.09 OUTLIER 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.299 1.999 . . . . 0.0 111.964 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m -158.02 165.6 34.66 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.138 -0.977 . . . . 0.0 110.026 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 56' ' ' VAL . 2.8 p -95.97 116.76 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.0 mt -96.51 146.2 25.02 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.106 -0.996 . . . . 0.0 111.028 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -98.85 134.35 21.61 Favored Pre-proline 0 C--N 1.298 -1.632 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.002 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.533 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 92.4 Cg_endo -76.63 -16.18 16.85 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.922 1.748 . . . . 0.0 113.125 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.54 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -87.27 -44.18 11.63 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.866 -1.146 . . . . 0.0 110.036 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -31.6 70.94 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.278 -0.888 . . . . 0.0 109.624 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.8 t -67.5 -53.6 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 120.993 -1.067 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.533 ' NE2' ' O ' ' A' ' 59' ' ' PRO . 1.4 mt-30 -54.08 -38.67 65.57 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.208 -0.933 . . . . 0.0 109.043 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.752 ' OG ' ' N1 ' ' A' ' 1' ' ' ATP . 9.5 t -61.57 -37.73 84.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.28 -0.888 . . . . 0.0 109.34 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.55 -47.86 24.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.294 -0.879 . . . . 0.0 108.852 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.6 t -54.41 -28.7 19.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -75.16 -41.8 57.39 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.482 -0.761 . . . . 0.0 109.723 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.8 m -63.59 -50.09 70.79 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.306 -0.871 . . . . 0.0 109.193 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.9 mt -58.04 -40.72 78.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.456 -0.777 . . . . 0.0 109.213 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -76.29 -31.98 58.53 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.325 -0.86 . . . . 0.0 110.444 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -83.3 -36.46 24.45 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.785 -1.197 . . . . 0.0 109.623 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -158.42 96.41 1.83 Allowed Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.385 -0.822 . . . . 0.0 109.329 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.64 -17.56 29.62 Favored 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 121.595 1.53 . . . . 0.0 113.605 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -94.12 3.41 55.34 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.729 -1.232 . . . . 0.0 110.359 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 57.5 m -106.65 14.35 27.03 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.157 -0.964 . . . . 0.0 110.133 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -112.84 136.19 21.64 Favored Pre-proline 0 N--CA 1.501 2.102 0 O-C-N 121.29 -0.881 . . . . 0.0 108.635 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -79.56 162.7 24.59 Favored 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 121.879 1.719 . . . . 0.0 113.259 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -82.23 170.8 13.16 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.795 2.33 . . . . 0.0 111.63 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.442 HG22 ' NH2' ' A' ' 101' ' ' ARG . 4.0 pt -109.16 163.63 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -89.28 132.71 34.78 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.187 -0.946 . . . . 0.0 108.48 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.89 139.0 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.393 -0.817 . . . . 0.0 109.188 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.7 mt -85.76 131.61 34.29 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.475 -0.765 . . . . 0.0 110.074 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -109.8 105.01 14.06 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 54.8 mt -122.27 147.78 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.354 -0.841 . . . . 0.0 109.97 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.498 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 37.9 mttp -109.17 157.0 19.19 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 121.562 0.696 . . . . 0.0 109.517 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.64 -172.36 36.31 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 110.507 -1.037 . . . . 0.0 110.507 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.75 -6.97 23.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.663 -0.904 . . . . 0.0 110.73 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -128.95 32.92 4.68 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.069 -1.019 . . . . 0.0 110.658 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.59 -14.19 4.5 Favored Glycine 0 N--CA 1.495 2.584 0 O-C-N 121.148 -0.97 . . . . 0.0 111.18 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.47 106.29 0.17 Allowed Glycine 0 N--CA 1.487 2.074 0 N-CA-C 109.441 -1.463 . . . . 0.0 109.441 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.498 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 8.8 m-20 -76.11 134.84 39.89 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.465 -1.021 . . . . 0.0 109.137 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 99.0 m-85 -128.7 148.91 50.86 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -121.65 118.92 30.36 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.347 -0.846 . . . . 0.0 110.054 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -108.51 133.38 52.73 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 t -124.37 134.54 53.11 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.534 -0.729 . . . . 0.0 109.328 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -134.87 88.67 2.45 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 133.96 -164.02 24.47 Favored Glycine 0 N--CA 1.497 2.71 0 N-CA-C 108.883 -1.687 . . . . 0.0 108.883 -179.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.571 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 46.7 13.58 0.09 OUTLIER Glycine 0 N--CA 1.492 2.398 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.532 ' N ' ' O ' ' A' ' 97' ' ' GLY . 8.0 m -50.14 -49.13 52.99 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.015 -1.285 . . . . 0.0 109.541 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.646 ' ND1' ' O1G' ' A' ' 1' ' ' ATP . 36.4 m80 -57.29 -41.31 79.53 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.193 -0.942 . . . . 0.0 109.563 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.494 ' NH2' ' O1A' ' A' ' 1' ' ' ATP . 39.4 mtm180 -67.03 -30.07 70.05 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.986 -1.071 . . . . 0.0 109.381 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -67.29 -43.86 80.7 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.888 -1.133 . . . . 0.0 108.508 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.55 -48.21 81.63 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.308 -0.87 . . . . 0.0 109.572 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.19 -47.87 82.08 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.182 -0.949 . . . . 0.0 109.274 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -65.27 -35.58 81.46 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.269 -0.895 . . . . 0.0 108.841 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -70.69 -36.54 73.35 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.241 -0.912 . . . . 0.0 109.616 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -67.13 -31.67 72.29 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.339 -0.851 . . . . 0.0 109.55 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.4 mt -82.4 6.46 17.07 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.253 -0.905 . . . . 0.0 109.659 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 50.8 22.08 1.07 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.339 -0.851 . . . . 0.0 110.347 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -57.27 154.92 9.62 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.943 -1.098 . . . . 0.0 108.415 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -79.91 -41.92 25.15 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.312 -0.867 . . . . 0.0 110.389 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.664 HG22 ' HA ' ' A' ' 45' ' ' PRO . 33.5 p -133.02 176.96 8.04 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.972 -1.08 . . . . 0.0 110.839 -178.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.8 tt -137.58 141.94 35.18 Favored Pre-proline 0 N--CA 1.499 1.975 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -84.95 119.75 2.2 Favored 'Trans proline' 0 N--CA 1.482 0.838 0 CA-C-N 120.269 1.132 . . . . 0.0 110.92 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -135.37 138.57 43.47 Favored 'General case' 0 N--CA 1.495 1.789 0 CA-C-O 121.599 0.714 . . . . 0.0 110.282 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -71.6 115.54 10.9 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.4 mt -80.83 138.18 36.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.962 -1.086 . . . . 0.0 109.244 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 97.7 t -134.29 110.78 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.604 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -48.83 138.62 10.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.186 -0.946 . . . . 0.0 109.442 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.1 m -141.34 -179.0 5.87 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.274 -0.891 . . . . 0.0 109.253 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.1 p -130.67 162.28 29.76 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.544 -0.722 . . . . 0.0 109.368 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 22.9 tp -56.23 -34.41 66.3 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.905 -1.122 . . . . 0.0 109.605 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.6 t -55.23 -45.46 75.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.874 -1.141 . . . . 0.0 109.212 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -54.95 -42.65 72.6 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.9 tp -63.72 -32.0 73.35 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.204 -0.935 . . . . 0.0 109.123 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -62.83 -34.06 76.52 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.862 -1.149 . . . . 0.0 109.042 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.29 -34.21 62.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 121.207 -0.933 . . . . 0.0 108.67 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -90.51 -47.5 7.67 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.281 -0.887 . . . . 0.0 110.821 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 131' ' ' ALA . 60.6 mt -119.55 46.19 1.97 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.462 -0.774 . . . . 0.0 110.283 -177.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.68 38.94 0.1 Allowed Glycine 0 N--CA 1.489 2.188 0 C-N-CA 120.006 -1.093 . . . . 0.0 110.395 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.65 -55.88 0.1 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.796 -1.414 . . . . 0.0 109.502 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.8 t -99.84 36.04 1.9 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.191 -0.943 . . . . 0.0 109.363 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.35 117.04 60.22 Favored Pre-proline 0 N--CA 1.492 1.646 0 O-C-N 121.278 -0.889 . . . . 0.0 109.563 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -74.55 -177.81 3.6 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.606 1.538 . . . . 0.0 111.782 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.502 ' OD1' ' NE2' ' A' ' 137' ' ' GLN . 45.5 t0 -104.88 118.1 35.7 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.532 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 97.9 mt -82.72 139.79 33.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.505 -0.747 . . . . 0.0 110.306 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.532 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 63.8 mm-40 . . . . . 0 N--CA 1.496 1.874 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.319 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ATP . . . . . 0.752 ' N1 ' ' OG ' ' A' ' 64' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.6 152.87 23.51 Favored Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.203 -1.175 . . . . 0.0 109.114 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.436 ' C ' ' H ' ' A' ' 21' ' ' GLY . 69.0 Cg_endo -72.73 104.79 1.8 Allowed 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.279 1.986 . . . . 0.0 111.976 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -75.04 37.17 0.12 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.234 -0.916 . . . . 0.0 109.447 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' A' ' 19' ' ' PRO . . . 161.45 70.49 0.02 OUTLIER Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -46.08 -54.74 4.31 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.8 2.333 . . . . 0.0 112.263 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 179.14 178.24 48.16 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.25 -53.69 0.09 OUTLIER 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.814 2.342 . . . . 0.0 111.984 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.1 t -169.09 -22.37 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.263 -0.898 . . . . 0.0 109.508 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.402 ' C ' ' H ' ' A' ' 28' ' ' ALA . . . 79.25 158.3 13.46 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.23 26.61 2.51 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.402 ' H ' ' C ' ' A' ' 26' ' ' GLY . . . -79.2 -42.63 25.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.279 -1.13 . . . . 0.0 109.484 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -79.31 66.62 4.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.275 -0.891 . . . . 0.0 109.482 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -160.34 170.26 36.33 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.3 81.44 0.73 Allowed Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -163.96 154.31 15.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.266 -1.138 . . . . 0.0 109.48 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.7 tt -79.47 144.46 10.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.281 -0.887 . . . . 0.0 109.509 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -80.17 107.22 12.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.224 -0.922 . . . . 0.0 109.501 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.7 t -80.06 -170.79 2.63 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.278 -0.889 . . . . 0.0 109.475 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.65 -9.31 6.5 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.451 -1.459 . . . . 0.0 109.451 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.772 ' HE ' ' H ' ' A' ' 38' ' ' ILE . 8.7 tpm_? -64.42 150.89 45.54 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.307 -1.113 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.772 ' H ' ' HE ' ' A' ' 37' ' ' ARG . 21.0 mt -142.81 97.64 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.185 -0.947 . . . . 0.0 109.064 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -111.28 119.78 40.03 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -155.71 -174.66 5.06 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.242 -0.911 . . . . 0.0 109.897 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -76.78 142.13 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -145.42 163.19 35.39 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.207 -0.933 . . . . 0.0 109.789 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 43' ' ' ASN . 10.0 p30 -102.85 94.09 5.4 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.448 ' CG1' HD21 ' A' ' 49' ' ' LEU . 4.1 p -87.06 125.7 65.42 Favored Pre-proline 0 N--CA 1.497 1.878 0 O-C-N 121.258 -0.901 . . . . 0.0 109.538 -178.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.649 ' HA ' HG22 ' A' ' 112' ' ' THR . 80.7 Cg_exo -47.95 139.77 19.54 Favored 'Trans proline' 0 N--CA 1.499 1.803 0 C-N-CA 121.755 1.637 . . . . 0.0 113.453 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mt -67.5 -29.47 68.9 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.266 -0.896 . . . . 0.0 108.997 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 t -66.46 -19.07 65.7 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.593 -0.692 . . . . 0.0 112.17 -177.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.8 m -110.77 24.06 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.269 0 O-C-N 120.698 -1.252 . . . . 0.0 110.877 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.448 HD21 ' CG1' ' A' ' 44' ' ' VAL . 65.5 mt -89.95 123.38 33.82 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.727 -1.233 . . . . 0.0 108.991 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.6 mt -94.1 116.29 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.323 -0.861 . . . . 0.0 109.783 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.5 mtp-105 -135.42 96.19 14.0 Favored Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 121.665 -0.647 . . . . 0.0 109.515 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -95.51 26.97 0.27 Allowed 'Trans proline' 0 C--N 1.314 -1.258 0 C-N-CA 122.883 2.389 . . . . 0.0 111.878 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 tt -141.76 94.75 7.22 Favored Pre-proline 0 N--CA 1.496 1.844 0 O-C-N 121.351 -0.843 . . . . 0.0 109.378 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.81 166.61 28.92 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 121.554 1.503 . . . . 0.0 111.726 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m -147.46 168.06 22.86 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.108 -0.995 . . . . 0.0 110.011 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 56' ' ' VAL . 3.7 p -85.53 110.94 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 72.4 mt -92.09 146.86 23.39 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.01 -1.056 . . . . 0.0 110.582 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 61' ' ' LYS . 3.1 t70 -103.13 137.27 19.21 Favored Pre-proline 0 C--N 1.299 -1.597 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -75.75 -15.93 18.87 Favored 'Trans proline' 0 N--CA 1.496 1.656 0 C-N-CA 121.973 1.782 . . . . 0.0 112.66 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.413 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.73 -38.63 18.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.06 -1.025 . . . . 0.0 109.808 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.416 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 7.4 ttmt -74.53 -31.91 62.29 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.154 -0.967 . . . . 0.0 109.512 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.25 -36.03 65.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 120.994 -1.066 . . . . 0.0 108.868 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -64.59 -40.93 96.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.285 -0.884 . . . . 0.0 109.17 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.56 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 10.3 t -61.55 -37.65 84.56 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.315 -0.866 . . . . 0.0 109.298 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mt -75.07 -47.92 26.43 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.283 -0.886 . . . . 0.0 108.669 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.2 t -55.77 -32.61 32.24 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -76.5 -34.67 58.61 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.531 -0.73 . . . . 0.0 109.647 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.4 m -67.41 -51.16 55.2 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.073 -1.017 . . . . 0.0 109.393 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 13.4 mt -57.91 -40.87 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.432 -0.793 . . . . 0.0 109.169 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.9 mtp85 -76.68 -33.46 58.25 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.279 -0.888 . . . . 0.0 110.156 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -87.06 -35.27 18.83 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.822 -1.174 . . . . 0.0 110.2 -179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -157.42 97.36 1.99 Allowed Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.167 -0.958 . . . . 0.0 109.663 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.54 -3.86 14.47 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 121.556 1.504 . . . . 0.0 112.911 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -91.21 -28.47 17.8 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.951 -1.093 . . . . 0.0 110.956 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.4 t -84.2 22.74 1.16 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.705 -1.247 . . . . 0.0 109.561 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 t -118.38 104.07 48.36 Favored Pre-proline 0 N--CA 1.5 2.031 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -75.07 162.37 37.06 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 121.626 1.551 . . . . 0.0 113.045 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.64 171.68 17.71 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.915 2.41 . . . . 0.0 112.151 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.1 pt -110.29 163.17 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.63 128.32 34.53 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.0 t -132.75 137.46 53.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.355 -0.84 . . . . 0.0 109.038 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.7 mt -86.23 133.05 33.86 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.571 -0.706 . . . . 0.0 110.11 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -110.27 107.36 17.09 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 84' ' ' ILE . 35.2 mt -125.37 146.04 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.141 0 O-C-N 121.363 -0.836 . . . . 0.0 109.8 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.518 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 38.3 mttp -108.61 157.11 18.8 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-O 121.583 0.706 . . . . 0.0 109.565 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.71 -170.57 31.45 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.96 -5.88 19.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.79 -0.829 . . . . 0.0 110.797 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -128.92 30.71 5.03 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.183 -0.948 . . . . 0.0 110.591 -178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.79 -13.68 4.01 Favored Glycine 0 N--CA 1.495 2.57 0 C-N-CA 120.15 -1.024 . . . . 0.0 110.947 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.52 109.78 0.58 Allowed Glycine 0 N--CA 1.486 2.006 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.518 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 11.6 m-20 -77.88 134.36 37.95 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.421 -1.046 . . . . 0.0 108.89 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 96.1 m-85 -129.32 131.09 46.86 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -105.81 119.94 40.44 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.298 -0.877 . . . . 0.0 110.143 -178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -107.5 142.52 37.24 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.44 136.34 47.89 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.531 -0.731 . . . . 0.0 109.402 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -137.97 91.28 2.56 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 132.64 -164.2 24.02 Favored Glycine 0 N--CA 1.497 2.723 0 N-CA-C 108.574 -1.81 . . . . 0.0 108.574 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.7 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 45.88 15.63 0.11 Allowed Glycine 0 N--CA 1.493 2.452 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 97' ' ' GLY . 6.5 m -49.81 -51.81 36.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.073 -1.251 . . . . 0.0 109.916 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -59.75 -36.32 76.4 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.105 -0.997 . . . . 0.0 109.576 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.644 ' NH2' ' O1A' ' A' ' 1' ' ' ATP . 42.5 mtm180 -68.27 -29.32 68.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.965 -1.084 . . . . 0.0 109.433 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -68.15 -42.94 79.32 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.995 -1.066 . . . . 0.0 108.81 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.12 -46.65 85.22 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.302 -0.874 . . . . 0.0 109.719 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.06 -46.56 82.38 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.219 -0.926 . . . . 0.0 109.497 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -68.19 -38.28 81.85 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.163 -0.961 . . . . 0.0 109.133 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -67.99 -33.31 74.38 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.178 -0.951 . . . . 0.0 109.551 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -72.56 -38.63 67.89 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.344 -0.848 . . . . 0.0 110.007 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.6 mt -76.58 8.68 3.32 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.166 -0.958 . . . . 0.0 109.863 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 45.15 60.31 3.07 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.293 -0.879 . . . . 0.0 110.197 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -93.18 161.62 14.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.093 -1.004 . . . . 0.0 108.612 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -82.41 -42.73 18.23 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.298 -0.876 . . . . 0.0 109.842 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.649 HG22 ' HA ' ' A' ' 45' ' ' PRO . 37.2 p -135.52 177.35 7.89 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.983 -1.073 . . . . 0.0 110.033 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.1 tt -138.43 141.0 29.92 Favored Pre-proline 0 N--CA 1.504 2.235 0 O-C-N 121.69 -0.631 . . . . 0.0 109.772 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -68.54 131.09 22.2 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 CA-C-N 120.022 1.044 . . . . 0.0 110.625 178.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -150.27 129.45 12.76 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.142 -0.973 . . . . 0.0 109.992 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -70.9 116.73 11.53 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.4 mt -83.76 137.45 33.73 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.954 -1.091 . . . . 0.0 109.428 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.6 t -137.55 111.88 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.598 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -48.78 138.98 10.4 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.166 -0.959 . . . . 0.0 109.46 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.6 m -141.88 -178.87 5.89 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.278 -0.889 . . . . 0.0 109.426 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.1 p -129.06 160.63 32.17 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.489 -0.757 . . . . 0.0 109.536 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.5 tp -55.54 -35.23 65.46 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.156 -0.965 . . . . 0.0 109.596 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.5 t -53.88 -45.31 71.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.915 -1.116 . . . . 0.0 109.03 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -55.23 -41.36 71.99 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.229 -0.919 . . . . 0.0 108.619 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.5 tp -64.95 -32.06 73.59 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.069 -1.019 . . . . 0.0 109.137 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -64.12 -34.84 78.97 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.869 -1.145 . . . . 0.0 109.135 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.25 -35.13 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 121.12 -0.988 . . . . 0.0 108.618 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -90.22 -47.47 7.77 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.225 -0.922 . . . . 0.0 110.67 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 131' ' ' ALA . 62.6 mt -118.21 46.15 1.85 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.456 -0.778 . . . . 0.0 110.12 -178.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.4 38.79 0.1 OUTLIER Glycine 0 N--CA 1.491 2.313 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -155.39 -54.93 0.09 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.855 -1.379 . . . . 0.0 109.49 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.5 m -100.02 35.59 2.02 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.186 -0.946 . . . . 0.0 109.373 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.77 116.73 57.96 Favored Pre-proline 0 N--CA 1.492 1.628 0 O-C-N 121.271 -0.893 . . . . 0.0 109.519 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -75.26 -178.03 3.94 Favored 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.65 1.567 . . . . 0.0 111.797 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.526 ' C ' HE21 ' A' ' 137' ' ' GLN . 26.9 t0 -103.97 118.67 37.22 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.531 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.8 mt -81.41 137.89 35.64 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.497 -0.752 . . . . 0.0 110.492 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 58.6 mm-40 . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 117.978 -1.011 . . . . 0.0 109.173 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ATP . . . . . 0.7 ' O3G' ' N ' ' A' ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 19' ' ' PRO . . . -166.91 153.19 7.88 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.193 -1.181 . . . . 0.0 109.115 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 18' ' ' ALA . 66.8 Cg_exo -36.79 159.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.314 -1.263 0 C-N-CA 122.415 2.076 . . . . 0.0 112.431 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.475 ' CD ' ' N ' ' A' ' 20' ' ' GLU . 1.4 pm0 -160.94 148.23 15.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.213 -0.929 . . . . 0.0 109.464 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.79 175.19 5.03 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.26 170.0 21.29 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.749 2.299 . . . . 0.0 112.027 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 167.06 178.83 39.7 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.449 -1.461 . . . . 0.0 109.449 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.24 99.86 1.3 Allowed 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.801 2.334 . . . . 0.0 111.971 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.3 t -162.41 -165.95 1.28 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.225 -0.922 . . . . 0.0 109.519 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.419 ' H ' ' H ' ' A' ' 27' ' ' GLY . . . 168.16 -4.04 0.04 OUTLIER Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.419 ' H ' ' H ' ' A' ' 26' ' ' GLY . . . 161.54 -9.9 0.11 Allowed Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.48 ' C ' ' H ' ' A' ' 30' ' ' GLY . . . -72.02 -9.37 58.28 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.241 -1.153 . . . . 0.0 109.48 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -72.9 17.11 0.13 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.902 . . . . 0.0 109.484 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' A' ' 28' ' ' ALA . . . -160.91 -3.66 0.05 OUTLIER Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 160.79 -79.14 0.16 Allowed Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.7 p -172.52 154.2 3.07 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -1.136 . . . . 0.0 109.472 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 34' ' ' HIS . 18.3 tt -49.91 -38.9 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.288 -0.882 . . . . 0.0 109.472 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.469 ' N ' HG23 ' A' ' 33' ' ' ILE . 85.1 t60 -79.5 88.88 5.05 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.292 -0.88 . . . . 0.0 109.446 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 34' ' ' HIS . 23.1 t -49.87 177.14 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.213 -0.929 . . . . 0.0 109.477 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -176.38 144.97 7.24 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -70.38 127.0 31.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -1.125 . . . . 0.0 109.297 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.9 mt -143.8 98.14 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.113 -0.992 . . . . 0.0 109.11 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.37 90.42 5.07 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.483 -0.761 . . . . 0.0 109.324 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -138.43 -174.73 3.89 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.371 -0.831 . . . . 0.0 109.524 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.517 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 92.8 t -75.15 143.52 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.382 -0.824 . . . . 0.0 109.227 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 15.2 m-70 -152.16 141.14 21.17 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.378 -0.826 . . . . 0.0 109.484 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -80.18 96.9 6.69 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.2 p -91.06 124.7 61.01 Favored Pre-proline 0 N--CA 1.498 1.934 0 O-C-N 121.151 -0.968 . . . . 0.0 108.855 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.652 ' HA ' HG22 ' A' ' 112' ' ' THR . 71.0 Cg_exo -47.99 142.15 15.96 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 121.688 1.592 . . . . 0.0 113.471 -179.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -67.37 -34.31 77.03 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.816 0.817 . . . . 0.0 109.251 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.3 p -60.49 -34.4 74.0 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.9 -0.5 . . . . 0.0 111.91 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.7 m -94.64 18.63 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.758 -1.214 . . . . 0.0 111.569 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.1 mt -85.32 135.2 34.0 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.519 -1.363 . . . . 0.0 108.452 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.8 mt -103.69 115.85 46.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.525 -0.735 . . . . 0.0 109.956 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -133.28 95.96 17.81 Favored Pre-proline 0 N--CA 1.495 1.818 0 O-C-N 121.633 -0.667 . . . . 0.0 109.639 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -97.45 29.54 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 122.979 2.452 . . . . 0.0 111.746 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tt -140.81 87.92 10.92 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 121.315 -0.866 . . . . 0.0 109.779 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -49.09 169.42 0.1 OUTLIER 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.455 2.103 . . . . 0.0 112.015 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.6 m -156.53 165.32 36.62 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.132 -0.98 . . . . 0.0 109.893 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.8 t -97.11 110.22 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.2 mt -93.91 146.77 23.67 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.278 -0.889 . . . . 0.0 110.642 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.8 t70 -110.5 139.64 21.75 Favored Pre-proline 0 N--CA 1.492 1.642 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 179.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.57 -21.83 16.49 Favored 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 122.059 1.84 . . . . 0.0 113.004 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.514 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -76.14 -41.65 49.26 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.022 -1.048 . . . . 0.0 110.152 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -73.83 -38.76 64.44 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.177 -0.952 . . . . 0.0 109.509 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 75.0 t -64.73 -35.5 75.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.006 -1.059 . . . . 0.0 109.265 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -66.65 -38.1 86.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.19 -0.944 . . . . 0.0 108.718 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.605 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 8.7 t -64.59 -37.52 87.83 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.264 -0.897 . . . . 0.0 109.306 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mt -76.27 -46.58 27.32 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.269 -0.894 . . . . 0.0 108.789 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.4 t -55.41 -32.33 29.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -75.99 -35.36 59.62 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.412 -0.805 . . . . 0.0 109.508 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 m -67.32 -51.33 53.85 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.157 -0.964 . . . . 0.0 109.291 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.0 mt -57.61 -41.4 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.371 -0.831 . . . . 0.0 109.141 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -76.73 -32.77 58.01 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.247 -0.908 . . . . 0.0 110.25 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -85.38 -36.34 20.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.81 -1.182 . . . . 0.0 109.944 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -154.27 94.5 2.82 Favored Pre-proline 0 N--CA 1.494 1.728 0 O-C-N 121.261 -0.899 . . . . 0.0 109.41 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.15 -21.02 36.92 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 121.374 1.382 . . . . 0.0 112.977 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -85.52 -23.5 27.69 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.9 -1.125 . . . . 0.0 110.534 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.3 t -80.84 17.77 1.12 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.865 -1.147 . . . . 0.0 109.608 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 t -118.75 113.42 36.2 Favored Pre-proline 0 N--CA 1.499 1.993 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -76.35 162.3 33.79 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 121.66 1.573 . . . . 0.0 113.004 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.09 172.81 15.46 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.792 2.328 . . . . 0.0 112.045 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.422 HG22 HH21 ' A' ' 101' ' ' ARG . 4.4 pt -112.53 165.98 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.703 -0.623 . . . . 0.0 109.522 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -87.87 134.27 33.74 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 121.351 -0.843 . . . . 0.0 108.77 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.0 t -137.56 137.82 45.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.343 -0.848 . . . . 0.0 109.134 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.3 mt -87.43 136.52 32.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.513 -0.742 . . . . 0.0 109.449 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -116.14 108.47 16.21 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 84' ' ' ILE . 39.5 mt -126.22 148.79 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.404 -0.81 . . . . 0.0 110.182 -178.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.527 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 35.2 mttp -108.78 157.53 18.49 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.678 0.751 . . . . 0.0 110.0 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.07 -164.43 29.92 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.25 -6.94 43.54 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.611 -0.935 . . . . 0.0 110.783 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.433 ' C ' ' H ' ' A' ' 90' ' ' GLY . 36.7 mt-30 -131.17 40.32 3.46 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.02 -1.05 . . . . 0.0 110.696 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.4 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 65.66 -11.41 0.41 Allowed Glycine 0 N--CA 1.494 2.566 0 O-C-N 121.167 -0.958 . . . . 0.0 111.678 178.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.533 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.16 108.46 0.36 Allowed Glycine 0 N--CA 1.487 2.1 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.527 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 4.9 m-20 -76.82 131.15 38.5 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.428 -1.042 . . . . 0.0 109.38 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.533 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 94.9 m-85 -126.72 124.59 40.12 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -98.58 119.59 37.56 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.239 -0.913 . . . . 0.0 110.143 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -107.98 131.35 54.65 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 t -122.75 131.59 53.85 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.644 -0.66 . . . . 0.0 109.356 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -131.6 88.14 2.54 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 141.65 -165.59 26.42 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 108.621 -1.792 . . . . 0.0 108.621 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.01 23.06 0.56 Allowed Glycine 0 N--CA 1.494 2.534 0 O-C-N 121.117 -1.226 . . . . 0.0 110.404 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.546 ' N ' ' O1G' ' A' ' 1' ' ' ATP . 5.2 m -53.31 -52.87 57.73 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.908 -1.348 . . . . 0.0 109.658 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.812 ' N ' ' O3G' ' A' ' 1' ' ' ATP . 37.9 m80 -63.51 -38.37 90.88 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.118 -0.989 . . . . 0.0 109.63 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.422 HH21 HG22 ' A' ' 79' ' ' ILE . 7.4 ttp180 -64.6 -30.61 71.64 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.959 -1.088 . . . . 0.0 109.359 179.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -67.6 -42.18 82.85 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.178 -0.951 . . . . 0.0 108.611 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.39 -44.29 92.8 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.327 -0.858 . . . . 0.0 109.668 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.44 -45.0 89.38 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.167 -0.958 . . . . 0.0 109.316 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -69.42 -40.79 77.08 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.303 -0.873 . . . . 0.0 109.037 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -65.92 -33.67 76.35 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.209 -0.932 . . . . 0.0 109.611 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -72.06 -39.32 69.12 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.257 -0.902 . . . . 0.0 109.81 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 98.2 mt -75.82 12.33 1.11 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.139 -0.976 . . . . 0.0 109.527 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 44.99 43.02 6.88 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.385 -0.822 . . . . 0.0 110.444 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 20.6 mmt85 -79.45 155.76 28.16 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.0 -1.063 . . . . 0.0 108.574 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -79.39 -41.65 27.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.378 -0.826 . . . . 0.0 110.59 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.652 HG22 ' HA ' ' A' ' 45' ' ' PRO . 37.2 p -133.93 177.24 7.88 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.019 -1.051 . . . . 0.0 110.647 -178.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.71 141.45 27.98 Favored Pre-proline 0 N--CA 1.503 2.211 0 O-C-N 121.637 -0.665 . . . . 0.0 109.832 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -68.76 131.29 22.34 Favored 'Trans proline' 0 N--CA 1.491 1.34 0 C-N-CA 120.909 1.073 . . . . 0.0 110.8 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.83 137.42 15.99 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.265 -0.897 . . . . 0.0 109.288 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.78 122.37 27.6 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 59.1 mt -78.63 138.94 38.57 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.378 -0.826 . . . . 0.0 109.149 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.0 t -133.32 101.89 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.553 HE21 ' N ' ' A' ' 120' ' ' SER . 1.4 tm0? -55.42 127.46 29.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.29 -0.881 . . . . 0.0 109.014 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.553 ' N ' HE21 ' A' ' 119' ' ' GLN . 4.9 m -134.44 -178.23 4.96 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.449 -0.782 . . . . 0.0 109.58 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.1 p -121.79 163.06 19.77 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.603 -0.686 . . . . 0.0 109.521 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.2 tp -57.28 -37.37 72.3 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.051 -1.031 . . . . 0.0 109.81 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.4 t -54.2 -40.16 67.34 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.845 -1.159 . . . . 0.0 109.592 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -62.02 -43.39 98.94 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 120.933 -1.104 . . . . 0.0 108.621 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 8.4 tp -60.19 -39.12 85.4 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.005 -1.059 . . . . 0.0 109.033 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 130' ' ' GLY . 17.3 ttp180 -56.83 -37.12 70.79 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.19 -0.944 . . . . 0.0 108.808 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 99.9 t -56.46 -34.15 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.064 -1.022 . . . . 0.0 108.319 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -90.27 -48.78 6.93 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.313 -0.867 . . . . 0.0 110.786 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 131' ' ' ALA . 72.3 mt -116.56 45.29 1.84 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.506 -0.746 . . . . 0.0 110.323 -178.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -64.94 39.1 0.1 Allowed Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.853 -1.165 . . . . 0.0 110.39 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.82 -56.24 0.11 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.856 -1.379 . . . . 0.0 109.552 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.5 p -99.65 36.21 1.83 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.155 -0.966 . . . . 0.0 109.372 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -75.86 119.59 77.87 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 121.269 -0.894 . . . . 0.0 109.676 -179.376 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -79.41 -174.87 2.46 Favored 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 121.862 1.708 . . . . 0.0 111.516 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.517 ' C ' HE21 ' A' ' 137' ' ' GLN . 45.4 t0 -105.71 117.5 34.17 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.533 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 97.6 mt -81.85 139.05 34.95 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.427 -0.796 . . . . 0.0 110.292 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.533 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 59.2 mm-40 . . . . . 0 N--CA 1.496 1.874 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.256 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ATP . . . . . 0.812 ' O3G' ' N ' ' A' ' 100' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.624 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -78.28 -32.9 0.9 Allowed Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.277 -1.131 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 18' ' ' ALA . 69.6 Cg_endo -90.44 107.56 0.34 Allowed 'Trans proline' 0 C--N 1.318 -1.051 0 C-N-CA 122.179 1.919 . . . . 0.0 112.21 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.489 ' OE1' ' N ' ' A' ' 20' ' ' GLU . 33.0 mp0 -60.74 -18.67 56.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.253 -0.904 . . . . 0.0 109.44 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.96 173.58 1.61 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.25 165.53 30.75 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.821 2.347 . . . . 0.0 112.008 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.62 69.3 1.35 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -46.04 -60.67 0.78 Allowed 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.814 2.343 . . . . 0.0 112.306 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.5 t -68.77 81.8 0.29 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.254 -0.904 . . . . 0.0 109.48 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 163.99 60.23 0.02 OUTLIER Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -77.22 101.89 1.65 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.39 -23.07 57.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.243 -1.151 . . . . 0.0 109.432 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -64.69 -157.13 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.275 -0.891 . . . . 0.0 109.471 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.26 95.73 0.17 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.07 -137.03 1.29 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.2 p -174.89 179.98 1.53 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.292 -1.123 . . . . 0.0 109.482 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.2 pt -151.87 -34.45 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.241 -0.912 . . . . 0.0 109.345 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -75.48 -171.29 1.45 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.282 -0.886 . . . . 0.0 109.45 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.3 t -49.89 105.95 0.1 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 109.456 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.13 46.32 0.41 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -63.93 151.71 41.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.188 -1.183 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.7 mt -143.34 98.3 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.298 -0.876 . . . . 0.0 109.12 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.04 101.48 13.24 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.471 -0.768 . . . . 0.0 109.329 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -148.79 -174.75 4.7 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.237 -0.914 . . . . 0.0 109.779 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.518 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 91.1 t -75.24 144.23 12.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.476 -0.765 . . . . 0.0 109.185 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 14.5 m-70 -152.25 150.69 30.07 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.348 -0.845 . . . . 0.0 109.691 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -87.68 94.96 9.89 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.431 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.3 p -88.0 124.12 67.53 Favored Pre-proline 0 N--CA 1.497 1.907 0 O-C-N 121.097 -1.002 . . . . 0.0 108.924 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.637 ' HA ' HG22 ' A' ' 112' ' ' THR . 85.3 Cg_exo -47.02 142.87 10.56 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 121.846 1.697 . . . . 0.0 113.673 -179.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mt -69.11 -31.26 69.84 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.408 -0.808 . . . . 0.0 109.164 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.5 t -69.14 -14.28 62.9 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.611 -0.681 . . . . 0.0 112.59 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.8 m -112.29 25.11 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.292 0 O-C-N 120.631 -1.293 . . . . 0.0 110.629 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.8 mt -89.13 139.14 30.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.899 -1.126 . . . . 0.0 108.541 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 77.0 mt -109.23 114.83 48.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.573 -0.704 . . . . 0.0 109.92 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -133.03 95.65 18.58 Favored Pre-proline 0 N--CA 1.497 1.889 0 O-C-N 121.667 -0.646 . . . . 0.0 109.537 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -96.34 26.77 0.24 Allowed 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 122.863 2.376 . . . . 0.0 112.155 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tt -134.94 102.93 10.92 Favored Pre-proline 0 N--CA 1.502 2.129 0 O-C-N 121.366 -0.834 . . . . 0.0 109.917 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -47.42 169.4 0.06 OUTLIER 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 121.863 1.709 . . . . 0.0 112.055 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.7 m -158.5 162.64 37.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.087 -1.008 . . . . 0.0 109.989 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 56' ' ' VAL . 2.6 p -106.11 121.12 58.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.6 mt -105.55 146.71 29.26 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-O 122.038 0.923 . . . . 0.0 110.827 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 2.8 t70 -107.24 138.2 19.81 Favored Pre-proline 0 N--CA 1.49 1.533 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 178.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -76.46 -15.53 17.58 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 122.075 1.85 . . . . 0.0 113.105 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.404 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.5 -41.0 15.73 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.054 -1.029 . . . . 0.0 110.133 -179.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -74.99 -31.84 61.52 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.095 -1.003 . . . . 0.0 109.892 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 71.2 t -68.98 -35.91 71.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.009 -1.057 . . . . 0.0 109.427 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -66.76 -45.82 77.31 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.167 -0.958 . . . . 0.0 108.855 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.543 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 40.5 t -57.57 -38.19 74.39 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.187 -0.945 . . . . 0.0 109.321 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 mt -74.56 -50.47 17.9 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.31 -0.869 . . . . 0.0 109.118 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.6 t -55.03 -31.86 26.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -77.27 -37.22 53.37 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.56 -0.712 . . . . 0.0 109.541 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.7 m -63.73 -51.33 65.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.408 -0.808 . . . . 0.0 109.391 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.0 mt -57.48 -41.3 78.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 121.392 -0.818 . . . . 0.0 109.178 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.584 ' HE ' ' CD2' ' A' ' 108' ' ' LEU . 36.7 mtt-85 -77.15 -30.49 55.06 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.248 -0.908 . . . . 0.0 110.465 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -90.39 -34.26 15.72 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.749 -1.22 . . . . 0.0 110.157 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.425 ' OD2' ' OD1' ' A' ' 74' ' ' ASP . 21.4 t70 -158.98 97.8 1.67 Allowed Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.176 -0.953 . . . . 0.0 109.312 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.23 -0.7 10.63 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 121.647 1.565 . . . . 0.0 113.025 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 75' ' ' SER . 2.7 p30 -88.73 -42.0 12.22 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.959 -1.088 . . . . 0.0 110.096 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.518 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 5.8 m -71.84 24.38 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.036 -1.04 . . . . 0.0 109.919 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.484 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.1 t -124.79 103.3 31.2 Favored Pre-proline 0 N--CA 1.501 2.088 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.535 ' O ' ' NH2' ' A' ' 101' ' ' ARG . 49.3 Cg_endo -76.62 163.07 32.27 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 121.849 1.7 . . . . 0.0 113.035 -178.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.44 173.36 14.64 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 122.875 2.383 . . . . 0.0 112.117 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 pt -112.97 167.12 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -89.82 135.3 33.71 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.206 -0.934 . . . . 0.0 108.864 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.6 t -139.6 139.0 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.348 -0.845 . . . . 0.0 109.42 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.4 mt -85.88 142.46 28.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.349 -0.844 . . . . 0.0 109.467 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.442 ' NE1' ' OD1' ' A' ' 91' ' ' ASP . 12.0 t90 -122.13 109.63 14.77 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.422 HG21 HD13 ' A' ' 84' ' ' ILE . 25.9 mt -128.64 147.73 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.156 0 O-C-N 121.462 -0.774 . . . . 0.0 109.973 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.5 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 41.2 mttp -107.22 157.35 17.97 Favored 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.663 0.744 . . . . 0.0 109.959 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.44 -167.77 32.63 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.51 -6.95 39.94 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.695 -0.885 . . . . 0.0 110.852 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -129.36 33.91 4.45 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 120.974 -1.079 . . . . 0.0 110.792 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.07 -14.17 4.0 Favored Glycine 0 N--CA 1.495 2.612 0 O-C-N 121.129 -0.982 . . . . 0.0 111.278 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.524 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -49.42 108.05 0.39 Allowed Glycine 0 N--CA 1.485 1.944 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.5 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 6.1 m-20 -77.25 134.69 38.51 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.385 -1.068 . . . . 0.0 108.75 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.524 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 99.0 m-85 -128.03 126.49 41.38 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -100.93 119.94 39.43 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.25 -0.907 . . . . 0.0 110.137 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -108.31 130.15 55.2 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.81 -0.557 . . . . 0.0 109.546 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.1 t -121.21 128.44 52.44 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -126.6 87.51 2.67 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 135.29 -157.59 23.22 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 108.045 -2.022 . . . . 0.0 108.045 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.653 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 45.88 27.67 2.45 Favored Glycine 0 N--CA 1.493 2.447 0 O-C-N 121.141 -1.211 . . . . 0.0 110.168 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.681 ' H ' ' PG ' ' A' ' 1' ' ' ATP . 3.8 m -60.31 -54.79 41.47 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.039 -1.271 . . . . 0.0 110.352 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.445 ' H ' ' PG ' ' A' ' 1' ' ' ATP . 44.0 m80 -63.06 -55.02 29.1 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.059 -1.025 . . . . 0.0 109.95 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.558 ' CD ' ' O1A' ' A' ' 1' ' ' ATP . 49.0 mtp180 -53.49 -29.65 37.26 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.875 -1.141 . . . . 0.0 109.029 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -72.26 -44.58 62.62 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.224 -0.922 . . . . 0.0 108.951 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.79 -46.98 83.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.297 -0.877 . . . . 0.0 109.875 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.03 -44.37 82.84 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.274 -0.891 . . . . 0.0 110.005 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -65.39 -37.75 87.92 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.125 -0.984 . . . . 0.0 109.24 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -67.32 -31.53 71.89 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.08 -1.013 . . . . 0.0 109.822 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -72.42 -35.9 68.46 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.157 -0.965 . . . . 0.0 110.258 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.584 ' CD2' ' HE ' ' A' ' 70' ' ' ARG . 99.0 mt -76.76 14.58 0.79 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.12 -0.987 . . . . 0.0 109.783 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 44.81 30.63 0.56 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.386 -0.821 . . . . 0.0 110.421 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -64.18 159.53 20.42 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.053 -1.029 . . . . 0.0 108.752 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -82.75 -43.25 17.0 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.506 -0.746 . . . . 0.0 109.863 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.637 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.3 p -133.79 177.69 7.52 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.059 -1.026 . . . . 0.0 110.275 -179.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.3 tt -137.35 141.2 33.08 Favored Pre-proline 0 N--CA 1.502 2.161 0 O-C-N 121.754 -0.591 . . . . 0.0 109.866 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -69.62 130.67 19.91 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 CA-C-N 120.102 1.072 . . . . 0.0 110.588 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.84 134.9 13.93 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.228 -0.92 . . . . 0.0 109.462 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -77.53 117.81 19.34 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.295 -0.878 . . . . 0.0 109.002 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 57.2 mt -76.61 139.58 40.68 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.505 -0.878 . . . . 0.0 109.155 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.4 t -133.63 101.85 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.619 HE21 ' N ' ' A' ' 120' ' ' SER . 1.4 tm0? -55.5 130.65 43.63 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.248 -0.907 . . . . 0.0 109.013 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.619 ' N ' HE21 ' A' ' 119' ' ' GLN . 4.9 m -138.83 -179.21 5.69 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.328 -0.857 . . . . 0.0 109.779 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.4 p -119.75 160.83 21.82 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 121.593 0.711 . . . . 0.0 109.443 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.9 tp -54.94 -34.51 63.3 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.156 -0.965 . . . . 0.0 109.707 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.5 m -53.94 -45.96 71.4 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.901 -1.124 . . . . 0.0 109.143 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -55.18 -42.42 73.2 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.163 -0.961 . . . . 0.0 108.695 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.7 tp -63.19 -32.24 73.59 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.981 -1.074 . . . . 0.0 108.999 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.7 ttt-85 -63.68 -33.94 76.75 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.965 -1.084 . . . . 0.0 109.117 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 87.8 t -60.94 -34.48 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 121.158 -0.964 . . . . 0.0 108.6 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -90.28 -47.91 7.48 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.321 -0.862 . . . . 0.0 110.689 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 131' ' ' ALA . 66.3 mt -118.21 45.95 1.89 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.505 -0.747 . . . . 0.0 110.071 -178.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.44 38.52 0.1 OUTLIER Glycine 0 N--CA 1.49 2.272 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.76 -55.35 0.1 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.828 -1.395 . . . . 0.0 109.472 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 39.0 m -100.16 35.54 2.05 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.175 -0.953 . . . . 0.0 109.333 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.55 116.69 55.71 Favored Pre-proline 0 N--CA 1.492 1.639 0 O-C-N 121.256 -0.903 . . . . 0.0 109.581 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -75.98 -178.69 4.55 Favored 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 121.607 1.538 . . . . 0.0 111.654 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.472 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 45.8 t0 -102.45 129.01 48.83 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.529 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 94.6 mt -91.84 137.47 32.34 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-O 121.482 0.658 . . . . 0.0 110.241 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 60.4 mm-40 . . . . . 0 N--CA 1.498 1.93 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.295 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ATP . . . . . 0.681 ' PG ' ' H ' ' A' ' 99' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -167.13 153.2 7.62 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.233 -1.157 . . . . 0.0 109.128 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -36.88 107.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.314 -1.27 0 C-N-CA 122.471 2.114 . . . . 0.0 112.382 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.453 ' CD ' ' N ' ' A' ' 21' ' ' GLY . 1.4 pp20? -73.26 -161.07 0.09 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.227 -0.921 . . . . 0.0 109.521 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.453 ' N ' ' CD ' ' A' ' 20' ' ' GLU . . . 78.42 60.37 2.68 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.61 142.33 25.96 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.701 2.267 . . . . 0.0 111.986 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.96 -69.43 1.39 Allowed Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.27 -167.6 0.44 Allowed 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.807 2.338 . . . . 0.0 111.978 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.9 m -162.89 1.33 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.243 -0.91 . . . . 0.0 109.479 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 52.3 -156.77 4.04 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.82 -37.12 0.03 OUTLIER Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.43 -54.65 7.15 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.261 -1.14 . . . . 0.0 109.474 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -78.78 105.37 10.04 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.259 -0.901 . . . . 0.0 109.498 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.62 -142.69 3.78 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.74 12.73 0.04 OUTLIER Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.6 t -167.91 143.36 3.81 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.234 -1.156 . . . . 0.0 109.482 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.469 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.2 pp -149.18 -179.63 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.321 -0.862 . . . . 0.0 109.136 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -58.33 127.46 32.26 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.225 -0.922 . . . . 0.0 109.501 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.0 m -71.17 -71.28 0.27 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.233 -0.917 . . . . 0.0 109.524 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.03 108.0 0.34 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.3 mtt85 -153.77 164.4 38.4 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -1.152 . . . . 0.0 109.354 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.5 mt -143.19 97.23 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.209 -0.932 . . . . 0.0 109.0 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.49 110.36 22.34 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.56 -0.712 . . . . 0.0 109.361 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.02 -175.1 4.83 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.194 -0.941 . . . . 0.0 109.761 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.518 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 86.6 t -76.02 144.66 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.543 -0.723 . . . . 0.0 109.08 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 14.7 m-70 -151.82 140.91 21.24 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.304 -0.872 . . . . 0.0 109.702 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -81.32 95.79 7.1 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.1 p -88.87 123.38 67.75 Favored Pre-proline 0 N--CA 1.497 1.896 0 O-C-N 121.109 -0.994 . . . . 0.0 109.16 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.643 ' HA ' HG22 ' A' ' 112' ' ' THR . 72.5 Cg_exo -48.02 140.45 18.89 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 121.781 1.654 . . . . 0.0 113.373 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.66 -30.79 71.13 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.392 -0.817 . . . . 0.0 109.281 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p -62.89 -27.12 69.14 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.777 -0.577 . . . . 0.0 112.11 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.0 m -104.26 24.54 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 O-C-N 120.863 -1.148 . . . . 0.0 111.342 -178.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.582 HD13 HH12 ' A' ' 51' ' ' ARG . 61.6 mt -90.63 138.65 31.4 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.708 -1.245 . . . . 0.0 108.583 178.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 63.6 mt -107.41 123.74 62.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.609 -0.682 . . . . 0.0 109.878 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.582 HH12 HD13 ' A' ' 49' ' ' LEU . 64.1 mtt85 -132.26 96.03 20.21 Favored Pre-proline 0 N--CA 1.496 1.855 0 O-C-N 121.516 -0.74 . . . . 0.0 109.666 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.686 ' O ' HD12 ' A' ' 53' ' ' LEU . 12.3 Cg_endo -95.19 22.63 0.43 Allowed 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 123.132 2.555 . . . . 0.0 112.417 178.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.686 HD12 ' O ' ' A' ' 52' ' ' PRO . 1.3 mp -140.19 132.57 14.68 Favored Pre-proline 0 N--CA 1.499 2.008 0 O-C-N 121.189 -0.944 . . . . 0.0 108.829 -178.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -75.51 167.66 26.09 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.199 1.933 . . . . 0.0 112.275 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.9 m -151.81 162.48 40.97 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.253 -0.905 . . . . 0.0 109.687 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 56' ' ' VAL . 2.5 p -107.4 121.48 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.2 mt -105.2 146.6 29.04 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-O 122.049 0.928 . . . . 0.0 110.978 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 3.7 t70 -113.14 139.82 23.51 Favored Pre-proline 0 N--CA 1.49 1.574 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 178.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.13 -22.42 16.89 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 121.965 1.777 . . . . 0.0 113.003 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.46 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -78.32 -40.69 35.9 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.052 -1.03 . . . . 0.0 110.422 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -75.41 -32.28 60.68 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.051 -1.03 . . . . 0.0 110.028 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.8 t -69.92 -35.72 65.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 120.888 -1.133 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -66.98 -40.85 87.51 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.178 -0.951 . . . . 0.0 108.785 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 1.047 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 10.8 t -62.51 -37.69 87.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.246 -0.909 . . . . 0.0 109.316 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.637 HD23 ' C8 ' ' A' ' 1' ' ' ATP . 9.3 mt -76.23 -47.26 24.6 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.311 -0.868 . . . . 0.0 109.049 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.9 t -55.25 -30.46 24.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -76.81 -39.11 52.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.593 -0.692 . . . . 0.0 109.502 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.5 m -62.09 -47.55 84.12 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.388 -0.82 . . . . 0.0 109.618 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.3 mt -64.7 -36.34 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.586 -0.697 . . . . 0.0 110.058 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 mtp-105 -78.86 -41.56 29.63 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.063 -1.023 . . . . 0.0 111.107 -179.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -90.32 -34.13 15.83 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.812 -1.18 . . . . 0.0 111.501 -177.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.426 ' OD2' ' OD1' ' A' ' 74' ' ' ASP . 16.4 t70 -154.71 93.64 2.79 Favored Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 120.956 -1.09 . . . . 0.0 109.433 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -83.91 8.14 4.79 Favored 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 122.089 1.86 . . . . 0.0 113.297 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 75' ' ' SER . 1.9 p30 -87.5 -46.23 9.78 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.995 -1.065 . . . . 0.0 109.822 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.51 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 6.2 m -72.04 28.17 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.217 -0.927 . . . . 0.0 109.795 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.486 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.2 t -120.49 103.2 44.4 Favored Pre-proline 0 N--CA 1.5 2.068 0 O-C-N 121.255 -0.903 . . . . 0.0 108.657 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.529 ' O ' ' NH2' ' A' ' 101' ' ' ARG . 55.5 Cg_endo -77.3 163.03 30.61 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 121.956 1.771 . . . . 0.0 113.015 -178.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.472 ' C ' ' NH2' ' A' ' 101' ' ' ARG . 71.8 Cg_endo -76.84 171.14 18.53 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.884 2.39 . . . . 0.0 112.202 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.1 pt -108.83 167.09 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.616 -0.677 . . . . 0.0 109.431 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -90.25 131.64 35.96 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 121.292 -0.88 . . . . 0.0 109.235 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.3 t -135.83 141.85 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.436 -0.79 . . . . 0.0 108.989 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mp -89.4 141.71 28.31 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.338 -0.851 . . . . 0.0 109.043 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -121.13 113.44 20.02 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.9 mt -133.69 148.97 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.349 -0.845 . . . . 0.0 110.037 -178.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.521 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 27.7 mttp -108.12 157.6 18.14 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.808 0.813 . . . . 0.0 110.618 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.91 -173.75 36.25 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.71 -1.356 . . . . 0.0 109.71 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.18 -4.56 10.64 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.661 -0.906 . . . . 0.0 110.901 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -129.08 26.92 5.44 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.181 -0.949 . . . . 0.0 110.738 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.427 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 79.35 -14.85 14.27 Favored Glycine 0 N--CA 1.494 2.567 0 C-N-CA 119.986 -1.102 . . . . 0.0 110.925 178.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.61 109.53 0.55 Allowed Glycine 0 N--CA 1.487 2.036 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.521 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 5.9 m-20 -77.14 134.83 38.58 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.485 -1.009 . . . . 0.0 109.075 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.4 m-85 -129.8 124.35 33.14 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -101.09 122.79 44.21 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.19 -0.944 . . . . 0.0 110.059 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -113.5 132.44 55.68 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.85 136.39 54.05 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -134.49 90.84 2.71 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 130.47 -158.38 22.45 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 108.379 -1.889 . . . . 0.0 108.379 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 1.065 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 45.49 24.74 1.14 Allowed Glycine 0 N--CA 1.493 2.487 0 O-C-N 121.123 -1.222 . . . . 0.0 110.408 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.816 ' N ' ' PG ' ' A' ' 1' ' ' ATP . 4.0 m -56.21 -50.31 71.6 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.894 -1.356 . . . . 0.0 110.033 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.564 ' N ' ' O1G' ' A' ' 1' ' ' ATP . 49.5 m80 -63.51 -53.9 44.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.061 -1.024 . . . . 0.0 109.918 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.529 ' NH2' ' O ' ' A' ' 77' ' ' PRO . 42.9 mtp180 -53.49 -31.54 46.39 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.929 -1.107 . . . . 0.0 109.182 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 102' ' ' TYR . 6.3 t80 -69.57 -39.79 77.15 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.167 -0.958 . . . . 0.0 108.687 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.24 -46.74 87.68 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.34 -0.85 . . . . 0.0 110.002 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.49 -44.89 85.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.115 -0.991 . . . . 0.0 109.617 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -70.14 -41.81 73.4 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.164 -0.96 . . . . 0.0 109.177 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -31.1 71.53 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.236 -0.915 . . . . 0.0 109.33 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.453 ' C ' ' H ' ' A' ' 109' ' ' GLN . 18.3 tm0? -71.95 -45.68 60.22 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.422 -0.799 . . . . 0.0 109.521 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.58 12.78 0.22 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.316 -0.865 . . . . 0.0 109.92 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.453 ' H ' ' C ' ' A' ' 107' ' ' GLN . 25.9 mt-30 45.38 32.66 1.09 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.289 -0.882 . . . . 0.0 110.368 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 64.2 mmt-85 -63.54 159.53 18.5 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.98 -1.075 . . . . 0.0 108.699 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' A' ' 111' ' ' GLU . 19.2 mp0 -81.55 -41.59 21.4 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.502 -0.749 . . . . 0.0 110.305 -179.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.643 HG22 ' HA ' ' A' ' 45' ' ' PRO . 34.9 p -134.4 177.18 7.96 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.029 -1.044 . . . . 0.0 110.265 -179.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.1 tt -139.05 141.01 28.53 Favored Pre-proline 0 N--CA 1.502 2.157 0 O-C-N 121.625 -0.672 . . . . 0.0 109.817 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.12 131.41 23.59 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 CA-C-N 120.006 1.038 . . . . 0.0 110.51 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.5 134.8 15.08 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.107 -0.996 . . . . 0.0 109.867 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -78.29 116.77 18.96 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.481 -0.762 . . . . 0.0 109.065 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 53.5 mt -79.14 137.65 37.56 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.061 -1.025 . . . . 0.0 109.5 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 58.5 t -130.43 104.76 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.527 ' NE2' ' O ' ' A' ' 120' ' ' SER . 1.6 tm0? -60.45 126.28 26.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.317 -0.864 . . . . 0.0 108.75 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.527 ' O ' ' NE2' ' A' ' 119' ' ' GLN . 5.6 m -135.19 -179.26 5.52 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.349 -0.845 . . . . 0.0 109.658 -179.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.9 p -118.04 160.92 20.68 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.4 tp -54.73 -36.77 65.11 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.976 -1.077 . . . . 0.0 109.769 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 11.6 t -54.72 -46.25 74.18 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.877 -1.139 . . . . 0.0 109.325 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -55.23 -41.82 72.57 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.159 -0.963 . . . . 0.0 108.695 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 125' ' ' LEU . 6.7 tp -63.54 -31.77 73.03 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.068 -1.02 . . . . 0.0 109.229 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 130' ' ' GLY . 25.9 ttt85 -61.31 -37.9 84.89 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.678 -1.264 . . . . 0.0 108.832 178.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 59.3 t -57.85 -35.84 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -89.96 -48.67 7.06 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.295 -0.878 . . . . 0.0 110.749 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 131' ' ' ALA . 96.3 mt -115.15 44.07 1.89 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.471 -0.768 . . . . 0.0 110.019 -178.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -64.94 38.32 0.1 Allowed Glycine 0 N--CA 1.49 2.234 0 N-CA-C 110.391 -1.084 . . . . 0.0 110.391 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.53 -57.2 0.11 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.787 -1.419 . . . . 0.0 109.562 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 70.8 m -98.72 37.16 1.54 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.102 -0.999 . . . . 0.0 109.276 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.74 116.77 58.33 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.327 -0.858 . . . . 0.0 109.628 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -78.6 -178.83 4.92 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 121.805 1.67 . . . . 0.0 111.95 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.511 ' C ' HE21 ' A' ' 137' ' ' GLN . 40.9 t0 -101.16 114.58 28.67 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.526 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 94.1 mt -81.94 136.85 35.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.402 -0.811 . . . . 0.0 110.525 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 57.3 mm-40 . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 117.899 -1.048 . . . . 0.0 109.084 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ATP . . . . . 1.065 ' O3G' ' N ' ' A' ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.456 -1.458 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -169.97 60.4 0.37 Allowed Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.3 -1.117 . . . . 0.0 109.515 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.53 -163.07 0.17 Allowed 'Trans proline' 0 C--N 1.308 -1.598 0 C-N-CA 122.724 2.283 . . . . 0.0 112.033 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -160.88 3.04 0.07 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.293 -0.879 . . . . 0.0 109.454 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.22 60.35 2.71 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.58 -7.17 18.43 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.717 2.278 . . . . 0.0 112.036 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.38 69.6 1.22 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -46.13 105.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.789 2.326 . . . . 0.0 112.262 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.9 p -79.25 -173.62 3.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.219 -0.925 . . . . 0.0 109.453 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.23 122.99 0.36 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.29 72.19 2.54 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.421 -1.472 . . . . 0.0 109.421 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.28 -3.94 48.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.213 -1.169 . . . . 0.0 109.48 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -160.33 63.86 0.33 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.193 -0.942 . . . . 0.0 109.482 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -160.51 123.91 1.27 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.481 -1.447 . . . . 0.0 109.481 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.59 -75.27 0.04 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.9 t -167.18 125.94 1.35 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.297 -1.119 . . . . 0.0 109.508 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.4 mp -138.9 -18.08 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.403 -0.81 . . . . 0.0 109.183 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -50.69 172.98 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.219 -0.925 . . . . 0.0 109.455 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.4 m -79.58 58.27 2.67 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.254 -0.903 . . . . 0.0 109.52 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.14 122.26 0.01 OUTLIER Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.667 ' H ' ' NE ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -74.57 113.45 11.84 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.233 -1.157 . . . . 0.0 109.254 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.8 mt -142.99 97.97 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.104 -0.998 . . . . 0.0 109.064 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.17 109.66 21.43 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.451 -0.781 . . . . 0.0 109.34 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.81 -175.01 5.13 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.263 -0.898 . . . . 0.0 109.769 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.503 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 87.4 t -75.67 144.21 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.487 -0.758 . . . . 0.0 109.088 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.503 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 13.8 m-70 -151.07 142.34 23.28 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.365 -0.835 . . . . 0.0 109.644 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -82.34 95.04 7.49 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.2 p -88.61 124.5 65.67 Favored Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 121.169 -0.957 . . . . 0.0 109.111 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.637 ' HA ' HG22 ' A' ' 112' ' ' THR . 71.5 Cg_exo -47.9 140.66 17.94 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 121.78 1.653 . . . . 0.0 113.464 -179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.66 -32.76 74.29 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.831 0.824 . . . . 0.0 109.417 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.2 p -62.25 -27.85 69.29 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.827 -0.546 . . . . 0.0 112.275 -177.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.0 m -101.62 25.28 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 120.833 -1.167 . . . . 0.0 111.462 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 49' ' ' LEU . 71.1 mt -89.62 131.28 35.7 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.67 -1.268 . . . . 0.0 108.525 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 83.1 mt -98.3 116.93 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.368 -0.832 . . . . 0.0 109.816 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -133.57 95.19 18.08 Favored Pre-proline 0 N--CA 1.499 1.98 0 O-C-N 121.527 -0.733 . . . . 0.0 109.801 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.667 ' O ' HD12 ' A' ' 53' ' ' LEU . 16.5 Cg_endo -98.28 32.67 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 123.195 2.597 . . . . 0.0 111.924 178.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 52' ' ' PRO . 1.2 mp -140.99 137.79 17.35 Favored Pre-proline 0 N--CA 1.5 2.027 0 O-C-N 121.044 -1.035 . . . . 0.0 108.969 -179.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -75.04 167.38 27.14 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.221 1.947 . . . . 0.0 111.853 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.8 m -155.58 160.12 40.22 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.109 -0.994 . . . . 0.0 109.893 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.459 ' O ' ' CG1' ' A' ' 56' ' ' VAL . 2.6 p -108.4 118.0 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.3 mt -98.12 145.71 26.3 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 122.277 1.037 . . . . 0.0 111.035 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -103.28 134.07 19.97 Favored Pre-proline 0 C--N 1.299 -1.611 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 178.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.529 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 77.1 Cg_endo -75.4 -17.74 18.46 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 121.949 1.766 . . . . 0.0 113.199 -178.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.541 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -87.07 -42.85 12.74 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.922 -1.111 . . . . 0.0 110.185 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -70.24 -31.38 68.76 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.217 -0.927 . . . . 0.0 109.786 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.65 -53.43 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.949 -1.094 . . . . 0.0 109.093 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 59' ' ' PRO . 1.5 mt-30 -56.54 -39.17 72.96 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.201 -0.937 . . . . 0.0 108.786 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.5 t -61.41 -39.22 89.95 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.333 -0.854 . . . . 0.0 109.225 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 mt -73.36 -47.12 44.83 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.235 -0.916 . . . . 0.0 108.696 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.9 t -54.37 -35.02 29.45 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -76.05 -33.78 59.59 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.469 -0.77 . . . . 0.0 109.365 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.8 m -67.27 -51.37 53.67 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.213 -0.929 . . . . 0.0 109.258 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.547 ' CG2' HH12 ' A' ' 110' ' ' ARG . 15.5 mt -58.4 -40.9 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.402 -0.812 . . . . 0.0 109.227 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -76.68 -33.09 58.28 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.215 -0.928 . . . . 0.0 110.199 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -86.27 -36.23 19.48 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.915 -1.116 . . . . 0.0 110.027 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -158.53 100.53 1.69 Allowed Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.253 -0.904 . . . . 0.0 109.556 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -73.49 -9.0 22.48 Favored 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 121.505 1.47 . . . . 0.0 113.245 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.405 ' C ' ' H ' ' A' ' 76' ' ' VAL . 15.4 m-20 -86.23 -29.29 23.26 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.826 -1.171 . . . . 0.0 110.43 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 p -77.97 20.86 0.34 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.847 -1.158 . . . . 0.0 109.514 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.405 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.1 t -129.27 102.7 18.49 Favored Pre-proline 0 N--CA 1.498 1.959 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -76.91 162.36 32.29 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.833 1.688 . . . . 0.0 113.101 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.79 170.16 20.7 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.854 2.369 . . . . 0.0 112.039 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.654 ' CG2' ' HE ' ' A' ' 101' ' ' ARG . 7.7 pt -108.03 167.45 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.639 -0.663 . . . . 0.0 109.784 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -89.1 134.1 34.13 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 37.3 t -138.06 139.45 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.339 -0.851 . . . . 0.0 109.265 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.3 mt -86.92 133.15 33.63 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.401 -0.812 . . . . 0.0 109.849 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.44 ' NE1' ' OD1' ' A' ' 91' ' ' ASP . 11.3 t90 -110.78 111.36 22.48 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.409 HG21 HD13 ' A' ' 84' ' ' ILE . 25.6 mt -129.28 145.76 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 121.369 -0.832 . . . . 0.0 109.863 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.501 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 38.8 mttp -108.57 157.14 18.75 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.616 0.722 . . . . 0.0 109.674 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.55 -168.19 31.22 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.41 -7.13 34.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.683 -0.892 . . . . 0.0 110.778 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -129.81 33.4 4.43 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.01 -1.056 . . . . 0.0 110.77 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 74.04 -14.26 3.91 Favored Glycine 0 N--CA 1.495 2.587 0 C-N-CA 120.234 -0.984 . . . . 0.0 111.301 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -47.86 108.4 0.34 Allowed Glycine 0 N--CA 1.487 2.037 0 O-C-N 120.849 -1.383 . . . . 0.0 109.693 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.501 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 7.1 m-20 -77.57 135.02 38.13 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.39 -1.065 . . . . 0.0 108.815 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 98.4 m-85 -128.64 126.63 40.58 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -103.08 123.0 45.83 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.227 -0.921 . . . . 0.0 110.356 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -108.2 126.39 52.74 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.794 -0.566 . . . . 0.0 109.483 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.75 119.44 36.04 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -120.02 86.27 2.53 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 177.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 136.0 -151.83 20.85 Favored Glycine 0 N--CA 1.494 2.513 0 N-CA-C 108.389 -1.885 . . . . 0.0 108.389 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.503 ' N ' ' O1G' ' A' ' 1' ' ' ATP . . . 45.76 15.29 0.1 OUTLIER Glycine 0 N--CA 1.494 2.507 0 O-C-N 121.173 -1.193 . . . . 0.0 110.132 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' A' ' 97' ' ' GLY . 5.3 m -51.23 -48.88 61.98 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -1.187 . . . . 0.0 110.125 -179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -66.18 -54.33 26.58 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.122 -0.986 . . . . 0.0 109.994 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 1.162 ' NH2' ' O2B' ' A' ' 1' ' ' ATP . 80.2 mtm-85 -53.62 -30.76 44.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.961 -1.087 . . . . 0.0 109.578 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -65.79 -43.7 87.95 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.025 -1.047 . . . . 0.0 108.729 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.14 96.96 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.289 -0.882 . . . . 0.0 109.626 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.3 -48.07 81.49 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.173 -0.954 . . . . 0.0 109.683 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -66.9 -42.53 85.32 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.165 -0.96 . . . . 0.0 108.888 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.43 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -62.55 -44.56 96.03 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.297 -0.877 . . . . 0.0 109.052 179.782 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.479 ' C ' ' H ' ' A' ' 109' ' ' GLN . 18.2 tm0? -59.46 -46.12 89.68 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.497 -0.752 . . . . 0.0 109.692 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.28 9.11 0.36 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.187 -0.946 . . . . 0.0 109.589 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 107' ' ' GLN . 17.1 tp60 48.0 37.66 8.08 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.275 -0.891 . . . . 0.0 109.874 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.547 HH12 ' CG2' ' A' ' 69' ' ' ILE . 22.2 mmt85 -73.57 154.18 39.91 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.076 -1.015 . . . . 0.0 108.54 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -78.76 -41.55 30.37 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.321 -0.862 . . . . 0.0 110.351 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.637 HG22 ' HA ' ' A' ' 45' ' ' PRO . 36.4 p -132.1 177.49 7.52 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.093 -1.005 . . . . 0.0 110.675 -178.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.7 tt -139.0 141.52 30.39 Favored Pre-proline 0 N--CA 1.501 2.114 0 O-C-N 121.725 -0.609 . . . . 0.0 109.745 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -68.29 130.78 21.9 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 CA-C-N 120.042 1.051 . . . . 0.0 110.706 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -149.86 134.13 17.27 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.224 -0.923 . . . . 0.0 109.575 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -78.88 112.19 15.8 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.483 -0.761 . . . . 0.0 108.96 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 57.3 mt -74.3 138.98 43.91 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.033 -1.042 . . . . 0.0 108.745 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 57.2 t -135.07 103.85 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.458 -0.776 . . . . 0.0 109.303 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.608 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.5 mp0 -46.07 135.98 7.08 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.273 -0.892 . . . . 0.0 109.609 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -143.89 -179.07 6.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.248 -0.908 . . . . 0.0 109.444 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.7 p -128.18 160.62 31.48 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.603 -0.686 . . . . 0.0 109.276 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.3 tp -54.7 -33.7 61.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.162 -0.961 . . . . 0.0 109.703 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.7 t -55.9 -44.2 78.01 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.948 -1.095 . . . . 0.0 109.463 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -58.69 -41.47 86.33 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.038 -1.039 . . . . 0.0 108.899 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.46 -38.35 89.47 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.044 -1.035 . . . . 0.0 109.136 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 130' ' ' GLY . 18.8 ttp180 -58.73 -37.56 76.44 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.051 -1.031 . . . . 0.0 108.743 179.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 83.3 t -56.7 -34.71 43.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.086 -1.009 . . . . 0.0 108.509 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -90.54 -48.37 7.13 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.282 -0.886 . . . . 0.0 110.833 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 131' ' ' ALA . 80.0 mt -115.98 44.19 1.98 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.444 -0.785 . . . . 0.0 110.317 -178.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -65.1 39.36 0.11 Allowed Glycine 0 N--CA 1.49 2.255 0 C-N-CA 119.757 -1.211 . . . . 0.0 110.36 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.74 -57.2 0.13 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.845 -1.386 . . . . 0.0 109.483 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.2 p -99.7 35.79 1.93 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.158 -0.964 . . . . 0.0 109.288 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.8 118.52 70.92 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 121.303 -0.873 . . . . 0.0 109.788 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -80.48 -175.12 2.54 Favored 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 121.928 1.752 . . . . 0.0 111.291 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.518 ' OD1' ' NE2' ' A' ' 137' ' ' GLN . 43.4 t0 -105.0 128.33 53.26 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.749 0.785 . . . . 0.0 108.929 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.526 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.9 mt -89.64 137.67 32.13 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 121.485 0.659 . . . . 0.0 110.247 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 60.1 mm-40 . . . . . 0 N--CA 1.497 1.895 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.315 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ATP . . . . . 1.162 ' O2B' ' NH2' ' A' ' 101' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.684 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -171.19 -54.05 0.0 OUTLIER Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.225 -1.162 . . . . 0.0 109.799 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.684 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 97.0 Cg_exo -43.37 93.16 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 121.993 1.795 . . . . 0.0 112.261 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -169.26 109.02 0.45 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.227 -0.921 . . . . 0.0 109.517 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 176.97 -59.86 0.1 OUTLIER Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -45.89 -36.87 16.07 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.729 2.286 . . . . 0.0 112.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.64 177.23 43.62 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.27 85.09 1.6 Allowed 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.742 2.295 . . . . 0.0 112.002 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.9 p -58.04 146.35 33.17 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.236 -0.915 . . . . 0.0 109.464 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.11 -172.55 42.59 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 161.04 50.55 0.02 OUTLIER Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.476 -1.449 . . . . 0.0 109.476 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.07 -41.32 42.79 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.23 -1.159 . . . . 0.0 109.507 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -153.18 -89.69 0.05 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.26 -0.9 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 67.06 -93.19 0.22 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 49.94 -119.25 6.61 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.0 t -64.48 116.81 6.5 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.188 -1.184 . . . . 0.0 109.487 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.3 pt -74.09 -113.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 0.0 109.373 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.423 ' CD2' ' N ' ' A' ' 34' ' ' HIS . 8.8 m170 -79.31 3.05 19.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.107 -0.996 . . . . 0.0 109.482 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.3 t -79.36 144.68 33.95 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.305 -0.872 . . . . 0.0 109.497 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 160.59 -122.45 1.12 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -68.8 142.64 54.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.236 -1.156 . . . . 0.0 109.457 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.7 mt -143.94 98.53 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.261 -0.9 . . . . 0.0 108.994 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.13 87.59 7.23 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.453 -0.779 . . . . 0.0 109.542 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -138.74 -175.06 4.0 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.359 -0.838 . . . . 0.0 109.355 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.516 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 90.6 t -75.47 143.29 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.388 -0.82 . . . . 0.0 109.292 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.516 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 15.7 m-70 -151.88 142.24 22.49 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.353 -0.842 . . . . 0.0 109.628 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -81.15 96.26 7.15 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.2 p -90.64 125.64 58.77 Favored Pre-proline 0 N--CA 1.498 1.975 0 O-C-N 121.182 -0.948 . . . . 0.0 109.052 -179.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.639 ' HA ' HG22 ' A' ' 112' ' ' THR . 75.4 Cg_exo -47.92 141.01 17.5 Favored 'Trans proline' 0 N--CA 1.5 1.855 0 C-N-CA 121.869 1.713 . . . . 0.0 113.677 -179.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mt -66.81 -33.57 75.9 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-O 121.876 0.846 . . . . 0.0 109.369 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.1 p -60.95 -27.59 68.36 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.838 -0.539 . . . . 0.0 112.175 -177.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 m -102.59 25.85 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 120.847 -1.158 . . . . 0.0 111.545 -178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 49' ' ' LEU . 72.5 mt -91.38 127.61 36.88 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.674 -1.266 . . . . 0.0 108.672 178.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.0 mt -96.46 119.19 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.262 -0.899 . . . . 0.0 110.397 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -133.85 95.15 17.61 Favored Pre-proline 0 N--CA 1.494 1.729 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -97.96 27.97 0.17 Allowed 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 122.965 2.443 . . . . 0.0 111.679 178.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 53' ' ' LEU . 14.2 tp -142.48 87.8 9.13 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.266 -0.896 . . . . 0.0 109.649 -178.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -47.79 169.28 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.551 2.167 . . . . 0.0 112.339 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -156.85 165.52 35.97 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.919 . . . . 0.0 109.816 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 56' ' ' VAL . 2.8 p -96.98 117.84 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.3 mt -100.46 146.14 27.4 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-O 122.14 0.971 . . . . 0.0 110.865 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -101.2 132.85 21.4 Favored Pre-proline 0 C--N 1.299 -1.626 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 178.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -75.6 -17.07 18.55 Favored 'Trans proline' 0 N--CA 1.497 1.72 0 C-N-CA 121.975 1.783 . . . . 0.0 113.193 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.529 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -86.97 -43.1 12.62 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.983 -1.073 . . . . 0.0 110.012 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.415 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 6.3 tttm -70.08 -31.53 69.16 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.24 -0.912 . . . . 0.0 109.797 -179.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.73 -50.68 58.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 120.911 -1.118 . . . . 0.0 108.997 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -51.16 -46.75 62.16 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.238 -0.914 . . . . 0.0 109.211 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.5 t -53.53 -40.9 65.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.271 -0.893 . . . . 0.0 109.313 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.587 ' CD2' HH21 ' A' ' 101' ' ' ARG . 5.1 mt -69.23 -46.33 67.61 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.5 t -55.35 -30.37 25.22 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.93 -35.74 59.63 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.484 -0.76 . . . . 0.0 109.875 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.1 m -68.0 -46.69 70.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.07 -1.019 . . . . 0.0 109.298 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.4 mt -62.96 -39.5 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.405 -0.809 . . . . 0.0 109.318 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 -76.87 -34.93 57.77 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.251 -0.906 . . . . 0.0 110.255 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -87.07 -35.27 18.81 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.892 -1.13 . . . . 0.0 110.43 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -155.81 96.53 2.35 Favored Pre-proline 0 N--CA 1.493 1.707 0 O-C-N 121.092 -1.005 . . . . 0.0 109.743 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.71 -3.33 13.73 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 121.588 1.526 . . . . 0.0 112.88 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -91.19 -30.04 16.89 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.921 -1.112 . . . . 0.0 110.843 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.0 m -81.96 22.43 0.78 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.669 -1.27 . . . . 0.0 109.571 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 t -118.84 104.11 47.33 Favored Pre-proline 0 N--CA 1.498 1.973 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -75.67 162.23 35.68 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 121.744 1.629 . . . . 0.0 113.045 -178.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.3 172.29 16.62 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.903 2.402 . . . . 0.0 112.187 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 pt -112.12 165.54 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -87.24 134.15 33.58 Favored 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.262 -0.899 . . . . 0.0 108.857 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.6 t -137.68 138.14 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.354 -0.841 . . . . 0.0 109.395 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.9 mt -87.33 137.75 32.07 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.537 -0.727 . . . . 0.0 110.008 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -114.8 108.42 16.73 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.405 HG21 HD13 ' A' ' 84' ' ' ILE . 29.0 mt -126.24 146.03 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.366 -0.834 . . . . 0.0 109.957 -178.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.74 ' HZ1' ' CG ' ' A' ' 91' ' ' ASP . 34.6 mttp -108.71 157.21 18.75 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 121.669 0.747 . . . . 0.0 109.788 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.23 -164.5 29.75 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.06 -7.14 44.34 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.635 -0.92 . . . . 0.0 110.9 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.431 ' C ' ' H ' ' A' ' 90' ' ' GLY . 36.9 mt-30 -130.47 40.19 3.54 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 121.025 -1.047 . . . . 0.0 110.666 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.89 -10.33 0.35 Allowed Glycine 0 N--CA 1.495 2.577 0 O-C-N 121.214 -0.929 . . . . 0.0 111.732 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.539 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.04 108.82 0.39 Allowed Glycine 0 N--CA 1.487 2.036 0 O-C-N 120.758 -1.437 . . . . 0.0 109.51 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.74 ' CG ' ' HZ1' ' A' ' 85' ' ' LYS . 3.8 m-20 -76.49 130.92 38.64 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.458 -1.025 . . . . 0.0 109.21 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.539 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 94.2 m-85 -127.98 124.92 38.43 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -100.18 117.24 34.01 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.203 -0.936 . . . . 0.0 110.084 -178.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -103.98 134.1 47.82 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.63 133.33 52.27 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.531 -0.73 . . . . 0.0 109.225 179.079 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -132.5 90.15 2.75 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 178.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 136.52 -159.86 24.59 Favored Glycine 0 N--CA 1.492 2.398 0 N-CA-C 107.838 -2.105 . . . . 0.0 107.838 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.34 25.2 1.16 Allowed Glycine 0 N--CA 1.495 2.582 0 O-C-N 121.107 -1.231 . . . . 0.0 110.321 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.5 m -61.76 -56.61 17.68 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.067 -1.255 . . . . 0.0 109.877 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.447 ' HB2' ' O2G' ' A' ' 1' ' ' ATP . 37.0 m80 -60.22 -37.6 80.8 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.128 -0.983 . . . . 0.0 109.766 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.587 HH21 ' CD2' ' A' ' 65' ' ' LEU . 11.7 ttm180 -67.66 -29.92 69.33 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.894 -1.129 . . . . 0.0 109.477 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -66.3 -43.01 87.47 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.015 -1.053 . . . . 0.0 108.861 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.19 -45.22 91.64 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.354 -0.842 . . . . 0.0 109.717 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.66 -40.73 84.31 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.145 -0.972 . . . . 0.0 109.286 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -72.08 -42.88 65.65 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.227 -0.921 . . . . 0.0 109.016 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -61.14 -51.25 69.86 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 121.176 -0.953 . . . . 0.0 109.467 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -54.64 -40.99 69.54 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.395 -0.815 . . . . 0.0 109.878 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 96.7 mt -72.96 7.0 2.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 109.586 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 47.09 35.3 3.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.299 -0.875 . . . . 0.0 110.0 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -69.39 156.8 38.23 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.081 -1.012 . . . . 0.0 108.618 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -82.04 -42.14 19.69 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.352 -0.842 . . . . 0.0 110.581 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.639 HG22 ' HA ' ' A' ' 45' ' ' PRO . 33.5 p -134.29 177.2 7.94 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.016 -1.053 . . . . 0.0 110.408 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.6 tt -140.25 141.22 25.53 Favored Pre-proline 0 N--CA 1.502 2.171 0 O-C-N 121.661 -0.649 . . . . 0.0 109.867 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -67.82 131.06 23.18 Favored 'Trans proline' 0 N--CA 1.492 1.407 0 C-N-CA 120.9 1.066 . . . . 0.0 110.646 177.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.12 133.79 13.79 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.162 -0.961 . . . . 0.0 109.526 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -77.78 120.4 22.62 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.371 -0.831 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 55.8 mt -78.54 134.64 37.24 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.165 -0.96 . . . . 0.0 108.958 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 28.1 t -126.16 105.66 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.553 ' NE2' ' N ' ' A' ' 120' ' ' SER . 0.0 OUTLIER -55.84 126.13 24.33 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 118.914 -1.115 . . . . 0.0 108.006 179.246 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.553 ' N ' ' NE2' ' A' ' 119' ' ' GLN . 5.6 m -133.47 -178.37 4.96 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.284 -0.885 . . . . 0.0 109.927 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.1 p -126.72 160.85 29.61 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.47 -0.769 . . . . 0.0 109.299 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.6 tp -54.34 -33.63 59.41 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.922 -1.111 . . . . 0.0 109.481 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.0 m -55.92 -43.21 77.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.946 -1.096 . . . . 0.0 109.206 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -57.71 -42.07 82.99 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.058 -1.026 . . . . 0.0 108.58 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.0 tp -63.61 -32.77 74.34 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.126 -0.984 . . . . 0.0 109.473 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -32.22 73.7 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.776 -1.202 . . . . 0.0 108.767 179.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.63 -34.55 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 O-C-N 121.008 -1.058 . . . . 0.0 108.451 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -90.37 -47.77 7.53 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.278 -0.889 . . . . 0.0 110.679 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 131' ' ' ALA . 58.9 mt -118.09 46.65 1.74 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.574 -0.704 . . . . 0.0 110.223 -178.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.57 38.34 0.1 OUTLIER Glycine 0 N--CA 1.49 2.283 0 C-N-CA 119.939 -1.124 . . . . 0.0 110.345 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -155.65 -54.1 0.09 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.852 -1.381 . . . . 0.0 109.446 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 50.4 m -99.58 36.48 1.77 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.153 -0.967 . . . . 0.0 109.42 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -77.91 117.86 68.54 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.288 -0.882 . . . . 0.0 109.481 -179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -80.4 -175.06 2.5 Favored 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 121.974 1.783 . . . . 0.0 111.596 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.467 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 48.7 t0 -104.02 128.61 51.6 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.739 0.78 . . . . 0.0 108.979 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.533 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.9 mt -91.39 138.7 31.37 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-O 121.506 0.67 . . . . 0.0 110.401 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.533 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 59.1 mm-40 . . . . . 0 N--CA 1.496 1.858 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.275 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ATP . . . . . 0.447 ' O2G' ' HB2' ' A' ' 100' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.29 152.85 88.13 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.259 -1.142 . . . . 0.0 109.103 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -72.72 -19.48 24.06 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.307 2.004 . . . . 0.0 111.951 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.401 ' OE2' ' N ' ' A' ' 21' ' ' GLY . 9.0 tp10 -164.75 122.69 1.68 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.257 -0.902 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.401 ' N ' ' OE2' ' A' ' 20' ' ' GLU . . . 163.91 -174.25 40.03 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -46.14 163.52 0.1 OUTLIER 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.798 2.332 . . . . 0.0 112.272 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -167.98 -68.27 0.03 OUTLIER Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.22 1.74 7.5 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.82 2.347 . . . . 0.0 112.034 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.469 ' OG ' ' N ' ' A' ' 26' ' ' GLY . 17.0 t -167.89 -173.63 2.16 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.261 -0.9 . . . . 0.0 109.446 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.469 ' N ' ' OG ' ' A' ' 25' ' ' SER . . . 163.52 38.67 0.02 OUTLIER Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.521 -1.431 . . . . 0.0 109.521 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.59 148.82 9.64 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.63 -5.03 22.0 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.261 -1.141 . . . . 0.0 109.452 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -153.21 147.65 25.97 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.251 -0.906 . . . . 0.0 109.349 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.24 -46.79 0.17 Allowed Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.86 38.84 1.97 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.2 t -71.53 152.78 42.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.262 -1.14 . . . . 0.0 109.454 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.514 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 13.2 pt -153.28 -179.43 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.277 -0.89 . . . . 0.0 109.354 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' A' ' 33' ' ' ILE . 70.8 m80 -159.62 -32.25 0.06 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.263 -0.898 . . . . 0.0 109.443 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.0 t -164.76 177.06 8.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.236 -0.915 . . . . 0.0 109.481 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.35 -124.11 6.41 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -65.55 150.43 48.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.282 -1.128 . . . . 0.0 109.455 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.5 mt -143.41 97.9 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.308 -0.87 . . . . 0.0 108.999 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.25 100.89 12.22 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.464 -0.772 . . . . 0.0 109.409 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.48 -175.12 4.65 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.213 -0.929 . . . . 0.0 109.559 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.505 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 91.6 t -75.58 143.45 13.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.444 -0.785 . . . . 0.0 109.192 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.505 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 14.9 m-70 -151.5 143.0 23.55 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.37 -0.831 . . . . 0.0 109.651 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -82.41 96.14 7.88 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.1 p -89.74 125.11 62.12 Favored Pre-proline 0 N--CA 1.498 1.953 0 O-C-N 121.139 -0.976 . . . . 0.0 109.126 -179.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.638 ' HA ' HG22 ' A' ' 112' ' ' THR . 73.0 Cg_exo -48.31 140.36 20.56 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 121.756 1.637 . . . . 0.0 113.55 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -66.45 -32.21 73.43 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.802 0.81 . . . . 0.0 109.298 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.4 p -62.28 -27.25 68.89 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.871 -0.518 . . . . 0.0 112.308 -177.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.4 m -103.09 25.81 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.26 0 O-C-N 120.778 -1.202 . . . . 0.0 111.467 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 49' ' ' LEU . 70.0 mt -90.07 138.36 31.58 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.646 -1.284 . . . . 0.0 108.512 178.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.6 mt -105.97 116.79 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.49 -0.756 . . . . 0.0 109.867 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -133.38 96.26 17.32 Favored Pre-proline 0 N--CA 1.495 1.814 0 O-C-N 121.634 -0.666 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -96.92 28.55 0.19 Allowed 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 122.97 2.447 . . . . 0.0 111.551 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tt -140.28 105.33 6.59 Favored Pre-proline 0 N--CA 1.498 1.945 0 O-C-N 121.311 -0.868 . . . . 0.0 109.476 -178.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.53 165.25 30.89 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 121.502 1.468 . . . . 0.0 112.009 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 m -153.94 167.79 28.57 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.996 -1.065 . . . . 0.0 109.958 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.7 t -95.32 109.46 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 72.6 mt -88.37 146.62 25.16 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.117 0.961 . . . . 0.0 110.87 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -96.9 131.69 27.37 Favored Pre-proline 0 C--N 1.298 -1.66 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 178.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -75.75 -16.69 18.47 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 121.998 1.799 . . . . 0.0 113.132 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.535 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -86.8 -43.15 12.73 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.003 -1.061 . . . . 0.0 109.999 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -70.1 -31.74 69.45 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.226 -0.921 . . . . 0.0 109.687 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.49 -35.96 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 120.952 -1.093 . . . . 0.0 109.125 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -66.08 -38.72 88.99 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.157 -0.965 . . . . 0.0 108.743 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.403 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 23.7 t -61.47 -37.76 84.77 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.27 -0.894 . . . . 0.0 109.276 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 mt -73.25 -46.66 48.73 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.1 t -55.67 -30.04 26.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -76.2 -38.76 56.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.558 -0.714 . . . . 0.0 109.561 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.9 m -64.31 -51.35 63.86 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.374 -0.829 . . . . 0.0 109.332 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.6 mt -58.55 -40.69 79.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.414 -0.804 . . . . 0.0 109.338 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.614 ' HE ' ' CD2' ' A' ' 108' ' ' LEU . 50.6 mtt-85 -77.03 -31.67 56.47 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.258 -0.901 . . . . 0.0 110.396 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -87.26 -36.74 17.75 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.86 -1.15 . . . . 0.0 110.066 -179.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -155.68 94.26 2.54 Favored Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.233 -0.917 . . . . 0.0 109.667 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.13 -13.54 28.58 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 121.54 1.493 . . . . 0.0 113.189 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -93.08 2.01 56.95 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.815 -1.178 . . . . 0.0 110.047 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.3 t -106.47 19.31 20.69 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.313 -0.867 . . . . 0.0 109.518 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.9 t -124.22 115.5 27.37 Favored Pre-proline 0 N--CA 1.501 2.104 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -75.34 162.34 36.4 Favored 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 121.675 1.584 . . . . 0.0 113.141 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.53 170.56 19.7 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.802 2.335 . . . . 0.0 112.087 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.411 HG22 ' NH2' ' A' ' 101' ' ' ARG . 7.4 pt -109.78 167.38 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.696 -0.627 . . . . 0.0 109.508 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -90.35 137.0 32.71 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.275 -0.89 . . . . 0.0 108.797 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.1 t -138.28 138.58 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.33 -0.856 . . . . 0.0 109.576 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.9 mt -86.86 132.64 33.77 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.441 -0.787 . . . . 0.0 109.184 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -113.43 111.93 22.77 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.414 HG21 HD13 ' A' ' 84' ' ' ILE . 21.2 mt -128.64 145.0 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 121.45 -0.781 . . . . 0.0 109.933 -178.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.529 ' HZ1' ' CG ' ' A' ' 91' ' ' ASP . 5.0 tttp -105.25 156.89 17.7 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.633 -0.667 . . . . 0.0 109.512 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.37 -168.81 31.57 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.49 -7.89 50.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.659 -0.906 . . . . 0.0 111.013 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -126.09 25.7 6.67 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.054 -1.029 . . . . 0.0 110.554 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.443 ' O ' ' OD1' ' A' ' 91' ' ' ASP . . . 80.62 -12.72 32.88 Favored Glycine 0 N--CA 1.494 2.501 0 O-C-N 121.074 -1.016 . . . . 0.0 111.173 178.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.524 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -51.02 111.15 1.16 Allowed Glycine 0 N--CA 1.485 1.962 0 O-C-N 120.913 -1.346 . . . . 0.0 109.738 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.529 ' CG ' ' HZ1' ' A' ' 85' ' ' LYS . 3.9 m-20 -77.32 133.61 38.72 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.364 -1.08 . . . . 0.0 109.098 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.524 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.0 m-85 -127.89 123.75 35.77 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -99.68 121.3 41.03 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.217 -0.927 . . . . 0.0 110.122 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -109.34 130.33 55.5 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.56 130.36 53.47 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -129.19 89.83 2.92 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 178.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.41 ' C ' ' O3G' ' A' ' 1' ' ' ATP . . . 134.23 -160.37 24.12 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 108.017 -2.033 . . . . 0.0 108.017 -179.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.605 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 45.76 26.78 1.98 Allowed Glycine 0 N--CA 1.493 2.481 0 O-C-N 121.151 -1.205 . . . . 0.0 110.233 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.846 ' H ' ' PG ' ' A' ' 1' ' ' ATP . 3.2 m -63.95 -57.05 10.91 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.035 -1.273 . . . . 0.0 110.308 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.557 ' H ' ' PG ' ' A' ' 1' ' ' ATP . 31.3 m80 -56.3 -36.55 68.78 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.975 -1.078 . . . . 0.0 109.705 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.735 ' NH2' ' O1A' ' A' ' 1' ' ' ATP . 39.2 mtm180 -69.26 -30.9 69.12 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.951 -1.093 . . . . 0.0 109.59 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -65.23 -42.99 92.85 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.898 -1.126 . . . . 0.0 108.412 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.21 89.76 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.367 -0.833 . . . . 0.0 109.571 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.3 93.07 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.143 -0.973 . . . . 0.0 109.413 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -68.28 -42.71 79.12 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.174 -0.954 . . . . 0.0 108.817 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.438 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -61.6 -47.56 84.9 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.295 -0.878 . . . . 0.0 109.387 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -58.03 -42.34 85.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.358 -0.839 . . . . 0.0 109.946 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.614 ' CD2' ' HE ' ' A' ' 70' ' ' ARG . 99.9 mt -73.34 7.79 2.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.111 -0.993 . . . . 0.0 109.514 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 45.79 40.78 6.82 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.346 -0.846 . . . . 0.0 110.087 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 72.0 mmt-85 -73.97 159.4 32.79 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.013 -1.054 . . . . 0.0 108.652 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -82.26 -42.53 18.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.381 -0.824 . . . . 0.0 110.305 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.638 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.1 p -134.35 177.22 7.93 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.021 -1.049 . . . . 0.0 110.615 -178.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -140.32 141.26 25.44 Favored Pre-proline 0 N--CA 1.502 2.156 0 O-C-N 121.72 -0.613 . . . . 0.0 109.8 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -67.41 131.72 25.51 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 120.935 1.09 . . . . 0.0 110.858 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.8 133.47 13.86 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.22 -0.925 . . . . 0.0 109.54 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.408 ' HZ2' ' HB3' ' A' ' 116' ' ' LYS . 1.6 ttpp -77.55 114.22 16.17 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.444 -0.785 . . . . 0.0 108.98 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 61.0 mt -74.08 137.83 43.58 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.012 -1.055 . . . . 0.0 109.164 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.3 t -133.84 101.73 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.538 HE21 ' N ' ' A' ' 120' ' ' SER . 1.5 tm0? -54.03 128.01 28.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.268 -0.895 . . . . 0.0 108.919 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.538 ' N ' HE21 ' A' ' 119' ' ' GLN . 4.5 m -133.79 -178.3 4.95 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.413 -0.804 . . . . 0.0 109.591 -179.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.7 p -122.61 160.9 24.77 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.544 -0.723 . . . . 0.0 109.381 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.7 tp -55.91 -35.72 66.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.031 -1.043 . . . . 0.0 109.72 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 69.8 m -55.4 -38.06 68.42 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.928 -1.107 . . . . 0.0 109.584 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -64.85 -44.68 88.97 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.006 -1.059 . . . . 0.0 108.601 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.0 tp -59.27 -39.11 81.85 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.075 -1.016 . . . . 0.0 109.037 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 130' ' ' GLY . 1.0 OUTLIER -56.3 -40.93 75.12 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.229 -0.919 . . . . 0.0 108.82 179.206 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 97.7 t -53.44 -33.56 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.075 -1.015 . . . . 0.0 108.481 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -90.37 -48.58 7.04 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.28 -0.887 . . . . 0.0 111.008 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 131' ' ' ALA . 75.5 mt -116.96 44.28 2.1 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.451 -0.78 . . . . 0.0 110.758 -177.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -64.14 39.54 0.09 OUTLIER Glycine 0 N--CA 1.489 2.186 0 C-N-CA 119.798 -1.191 . . . . 0.0 110.548 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.97 -58.05 0.13 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.813 -1.404 . . . . 0.0 109.458 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 34.1 m -99.43 37.72 1.53 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.121 -0.987 . . . . 0.0 109.245 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -76.8 119.42 77.37 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.276 -0.89 . . . . 0.0 109.879 -179.305 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -80.56 -174.87 2.42 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.971 1.781 . . . . 0.0 111.266 178.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.474 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 42.8 t0 -106.09 128.9 54.19 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.717 0.77 . . . . 0.0 109.01 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.529 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 92.5 mt -88.53 136.35 33.03 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-O 121.43 0.633 . . . . 0.0 110.264 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 62.2 mm-40 . . . . . 0 N--CA 1.496 1.828 0 CA-C-O 117.975 -1.012 . . . . 0.0 109.187 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ATP . . . . . 0.846 ' PG ' ' H ' ' A' ' 99' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.72 152.87 80.7 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.21 -1.171 . . . . 0.0 109.093 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -72.73 101.11 1.26 Allowed 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.29 1.994 . . . . 0.0 111.956 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.527 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -70.98 -28.29 64.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.251 -0.906 . . . . 0.0 109.543 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.475 ' N ' ' OE2' ' A' ' 20' ' ' GLU . . . 161.15 67.91 0.02 OUTLIER Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -46.11 97.95 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.754 2.303 . . . . 0.0 112.293 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.91 175.56 41.67 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.22 131.77 14.4 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.749 2.3 . . . . 0.0 112.006 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.5 p -65.86 -62.57 1.43 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.256 -0.903 . . . . 0.0 109.481 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.77 124.3 0.72 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.11 -18.53 6.25 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.56 -8.52 58.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.284 -1.127 . . . . 0.0 109.497 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.476 ' OE1' ' N ' ' A' ' 30' ' ' GLY . 22.6 tm0? -78.67 -60.22 2.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.266 -0.896 . . . . 0.0 109.367 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.476 ' N ' ' OE1' ' A' ' 29' ' ' GLN . . . -76.4 100.12 1.38 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.19 55.9 4.35 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 33' ' ' ILE . 62.3 m -75.47 128.46 35.37 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.198 -1.178 . . . . 0.0 109.406 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.596 HD13 ' N ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER -46.97 171.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.282 -0.886 . . . . 0.0 109.86 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.492 ' CG ' ' H ' ' A' ' 35' ' ' SER . 56.4 t60 -86.4 178.11 7.23 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.175 -0.953 . . . . 0.0 109.621 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.492 ' H ' ' CG ' ' A' ' 34' ' ' HIS . 21.0 t -49.19 128.35 16.38 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.247 -0.908 . . . . 0.0 109.508 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.71 78.61 1.76 Allowed Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.479 ' H ' ' CD ' ' A' ' 37' ' ' ARG . 1.1 mpt_? -50.24 170.5 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.251 -1.146 . . . . 0.0 109.271 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.7 mt -143.15 97.7 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.186 -0.946 . . . . 0.0 109.092 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.12 113.81 27.61 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.574 -0.704 . . . . 0.0 109.296 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.42 -175.11 4.87 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.228 -0.92 . . . . 0.0 109.615 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.413 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 95.1 t -82.55 143.8 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.468 -0.77 . . . . 0.0 109.085 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.413 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 25.3 m-70 -148.35 162.22 39.98 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.29 -0.881 . . . . 0.0 109.729 -179.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -99.31 94.43 6.45 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.1 p -87.63 127.02 59.89 Favored Pre-proline 0 N--CA 1.497 1.915 0 O-C-N 121.285 -0.884 . . . . 0.0 109.406 -178.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.646 ' HA ' HG22 ' A' ' 112' ' ' THR . 75.4 Cg_exo -47.96 140.44 18.61 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 121.761 1.64 . . . . 0.0 113.592 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mt -66.72 -32.36 73.61 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.783 0.801 . . . . 0.0 109.331 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.9 p -61.67 -28.21 69.23 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.824 -0.547 . . . . 0.0 112.214 -177.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.0 m -101.45 25.43 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 O-C-N 120.871 -1.143 . . . . 0.0 111.469 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.486 HD13 HH12 ' A' ' 51' ' ' ARG . 72.7 mt -91.76 127.54 37.25 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.663 -1.273 . . . . 0.0 108.71 178.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.7 mt -96.89 118.61 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.365 -0.834 . . . . 0.0 110.503 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.486 HH12 HD13 ' A' ' 49' ' ' LEU . 78.1 mtt85 -134.06 94.78 17.73 Favored Pre-proline 0 N--CA 1.495 1.794 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -97.68 28.19 0.18 Allowed 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 123.025 2.483 . . . . 0.0 112.132 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 53' ' ' LEU . 7.8 tp -138.9 105.23 7.41 Favored Pre-proline 0 N--CA 1.5 2.047 0 O-C-N 121.291 -0.881 . . . . 0.0 109.899 -178.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -49.36 169.76 0.1 Allowed 'Trans proline' 0 N--CA 1.497 1.716 0 C-N-CA 121.971 1.78 . . . . 0.0 112.309 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.3 m -156.42 163.55 39.32 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.21 -0.931 . . . . 0.0 109.715 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.4 t -106.14 113.44 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.6 mt -97.13 146.05 25.41 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 122.205 1.002 . . . . 0.0 111.068 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -103.01 133.45 20.34 Favored Pre-proline 0 C--N 1.299 -1.6 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 178.588 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -75.62 -17.22 18.4 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 121.942 1.762 . . . . 0.0 113.246 -178.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.539 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -87.03 -44.15 11.79 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.933 -1.104 . . . . 0.0 110.033 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -68.62 -31.74 71.12 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.175 -0.953 . . . . 0.0 109.8 -179.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.6 t -68.08 -35.63 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.915 -1.116 . . . . 0.0 108.959 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -65.85 -36.06 82.39 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.7 t -65.98 -37.58 86.33 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.284 -0.885 . . . . 0.0 109.49 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 mt -77.0 -43.69 33.82 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.134 -0.979 . . . . 0.0 108.79 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.2 t -55.15 -33.17 29.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -77.1 -35.71 56.19 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.399 -0.813 . . . . 0.0 109.788 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.4 m -66.44 -51.33 57.98 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.139 -0.975 . . . . 0.0 109.391 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.0 mt -57.57 -40.71 76.51 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.366 -0.834 . . . . 0.0 109.18 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.444 ' NE ' HD22 ' A' ' 108' ' ' LEU . 62.2 mtt180 -76.5 -32.46 58.32 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.286 -0.884 . . . . 0.0 110.211 -179.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -85.36 -36.46 20.74 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.835 -1.165 . . . . 0.0 109.801 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -159.04 102.49 1.57 Allowed Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.321 -0.862 . . . . 0.0 109.41 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.41 -20.65 31.49 Favored 'Trans proline' 0 N--CA 1.499 1.805 0 C-N-CA 121.439 1.426 . . . . 0.0 113.452 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -83.47 -23.02 32.39 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.774 -1.204 . . . . 0.0 110.346 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.7 m -75.79 14.17 0.7 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.011 -1.056 . . . . 0.0 110.121 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 t -125.18 95.33 41.77 Favored Pre-proline 0 N--CA 1.501 2.078 0 O-C-N 121.452 -0.78 . . . . 0.0 109.215 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.27 156.51 7.83 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 122.641 2.228 . . . . 0.0 112.618 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -74.3 170.97 19.0 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.687 2.258 . . . . 0.0 111.682 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.445 HG22 ' NH2' ' A' ' 101' ' ' ARG . 7.6 pt -108.97 167.02 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.609 -0.682 . . . . 0.0 109.466 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -91.22 140.09 30.13 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.176 -0.952 . . . . 0.0 108.737 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.7 t -140.04 139.2 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.505 -0.747 . . . . 0.0 109.601 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.3 mt -87.39 124.71 33.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.431 -0.793 . . . . 0.0 109.505 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.6 t90 -103.38 112.13 24.88 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.416 HD13 HG21 ' A' ' 84' ' ' ILE . 30.6 mt -128.43 146.32 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.285 -0.884 . . . . 0.0 109.93 -178.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.516 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 27.5 mttp -108.0 157.37 18.29 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 121.595 0.712 . . . . 0.0 109.55 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.51 -170.36 31.68 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.25 -7.15 28.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.698 -0.883 . . . . 0.0 110.79 -179.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -129.23 32.3 4.72 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.113 -0.992 . . . . 0.0 110.634 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.85 -13.44 4.22 Favored Glycine 0 N--CA 1.495 2.603 0 O-C-N 121.09 -1.006 . . . . 0.0 111.234 178.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.528 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -47.83 109.51 0.48 Allowed Glycine 0 N--CA 1.487 2.057 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.516 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 5.9 m-20 -76.96 133.24 39.26 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.507 -0.996 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 96.7 m-85 -128.71 127.53 42.29 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -102.92 115.51 30.74 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.248 -0.907 . . . . 0.0 110.17 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -103.5 134.0 47.59 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.08 134.01 51.51 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.503 -0.748 . . . . 0.0 109.118 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -132.88 90.42 2.76 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 133.93 -158.9 23.54 Favored Glycine 0 N--CA 1.493 2.479 0 N-CA-C 108.027 -2.029 . . . . 0.0 108.027 -179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 1.016 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 45.71 25.91 1.65 Allowed Glycine 0 N--CA 1.494 2.535 0 O-C-N 121.138 -1.213 . . . . 0.0 110.326 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.559 ' N ' ' PG ' ' A' ' 1' ' ' ATP . 2.8 m -63.5 -56.69 14.11 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.073 -1.251 . . . . 0.0 110.07 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -55.41 -39.83 70.7 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.032 -1.042 . . . . 0.0 109.773 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.445 ' NH2' HG22 ' A' ' 79' ' ' ILE . 40.4 mtm180 -67.68 -31.33 71.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.945 -1.097 . . . . 0.0 109.464 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -65.81 -42.77 90.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.949 -1.094 . . . . 0.0 108.478 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.98 -40.36 84.59 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.307 -0.871 . . . . 0.0 109.669 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.05 87.92 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.161 -0.962 . . . . 0.0 109.559 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -70.01 -41.57 74.15 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.151 -0.968 . . . . 0.0 109.207 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.537 ' OE1' ' N ' ' A' ' 107' ' ' GLN . 3.0 tm0? -68.45 -39.08 81.6 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.23 -0.919 . . . . 0.0 108.819 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.537 ' N ' ' OE1' ' A' ' 106' ' ' GLN . 9.7 tm0? -62.73 -41.62 99.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.601 -0.687 . . . . 0.0 109.365 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.444 HD22 ' NE ' ' A' ' 70' ' ' ARG . 96.5 mt -76.65 11.34 1.7 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.255 -0.903 . . . . 0.0 109.629 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 46.17 46.65 13.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.336 -0.853 . . . . 0.0 110.314 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -79.96 159.75 26.18 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.988 -1.07 . . . . 0.0 108.527 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -82.02 -43.21 18.27 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.392 -0.818 . . . . 0.0 110.192 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.646 HG22 ' HA ' ' A' ' 45' ' ' PRO . 39.5 p -134.16 177.72 7.53 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.043 -1.036 . . . . 0.0 110.368 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.6 tt -139.76 141.84 29.19 Favored Pre-proline 0 N--CA 1.503 2.207 0 O-C-N 121.629 -0.67 . . . . 0.0 109.794 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -68.5 135.12 32.68 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 CA-C-N 120.088 1.067 . . . . 0.0 110.499 177.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -155.03 133.37 11.8 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.241 -0.912 . . . . 0.0 109.53 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.4 tttm -77.0 118.55 19.69 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.316 -0.865 . . . . 0.0 109.064 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 47.7 mt -79.23 137.28 37.34 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.217 -0.927 . . . . 0.0 108.609 179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 75.4 t -136.7 103.9 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.434 -0.791 . . . . 0.0 109.463 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.608 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -46.47 130.24 10.96 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.256 -0.902 . . . . 0.0 109.53 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.4 m -136.13 -178.45 5.16 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.43 -0.794 . . . . 0.0 109.15 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.0 p -129.43 164.05 24.5 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.44 -0.788 . . . . 0.0 109.585 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 23.4 tp -57.22 -35.55 69.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.999 -1.063 . . . . 0.0 109.621 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.7 m -54.19 -45.06 72.07 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.91 -1.119 . . . . 0.0 109.237 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -55.43 -43.59 75.5 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 120.967 -1.083 . . . . 0.0 108.3 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.4 tp -63.29 -32.52 73.96 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.105 -0.997 . . . . 0.0 109.512 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -65.03 -26.8 68.42 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.675 -1.265 . . . . 0.0 109.155 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 57.6 t -67.6 -33.57 62.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.301 0 O-C-N 120.995 -1.066 . . . . 0.0 108.227 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -90.95 -47.17 7.74 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.351 -0.843 . . . . 0.0 110.864 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.551 ' O ' ' N ' ' A' ' 131' ' ' ALA . 59.0 mt -119.27 46.15 1.96 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.449 -0.782 . . . . 0.0 110.446 -177.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.02 38.74 0.11 Allowed Glycine 0 N--CA 1.49 2.263 0 C-N-CA 119.767 -1.206 . . . . 0.0 110.294 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.2 -54.46 0.1 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.842 -1.387 . . . . 0.0 109.427 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 18.5 m -100.06 35.48 2.05 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.226 -0.921 . . . . 0.0 109.346 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.73 118.57 72.63 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 121.291 -0.88 . . . . 0.0 109.479 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -78.88 -174.88 2.46 Favored 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 121.907 1.738 . . . . 0.0 111.63 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.512 ' C ' HE21 ' A' ' 137' ' ' GLN . 45.1 t0 -105.81 119.88 40.3 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.536 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 96.1 mt -82.11 137.79 34.92 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.555 -0.716 . . . . 0.0 110.467 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.536 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 59.8 mm-40 . . . . . 0 N--CA 1.498 1.932 0 CA-C-O 118.01 -0.995 . . . . 0.0 109.363 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ATP . . . . . 1.016 ' O3G' ' N ' ' A' ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.624 ' N ' ' CD ' ' A' ' 19' ' ' PRO . . . -76.11 -37.13 2.05 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.224 -1.163 . . . . 0.0 110.416 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 18' ' ' ALA . 49.3 Cg_exo -56.14 96.72 0.06 OUTLIER 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.115 1.876 . . . . 0.0 112.161 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -143.29 56.34 1.37 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.219 -0.926 . . . . 0.0 109.177 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.17 178.6 51.17 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.23 34.14 0.4 Allowed 'Trans proline' 0 C--N 1.307 -1.623 0 C-N-CA 122.806 2.337 . . . . 0.0 111.995 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.97 170.18 28.54 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.436 -1.465 . . . . 0.0 109.436 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.425 ' O ' ' OG ' ' A' ' 25' ' ' SER . 73.0 Cg_endo -75.23 114.07 3.92 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.828 2.352 . . . . 0.0 111.981 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 24' ' ' PRO . 49.8 m -166.61 -163.81 0.6 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.252 -0.905 . . . . 0.0 109.501 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.17 49.87 6.1 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.09 88.18 0.09 OUTLIER Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.25 -44.32 53.42 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.251 -1.146 . . . . 0.0 109.423 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -52.34 -75.0 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.245 -0.909 . . . . 0.0 109.408 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -76.28 142.83 28.79 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.07 131.13 1.82 Allowed Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.3 t -56.13 179.99 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.27 -1.135 . . . . 0.0 109.436 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.6 tt -160.76 154.91 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.232 -0.917 . . . . 0.0 109.441 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.404 ' O ' ' ND1' ' A' ' 34' ' ' HIS . 3.4 p80 -49.95 143.57 7.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 109.462 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 t -49.91 163.53 0.14 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.259 -0.901 . . . . 0.0 109.465 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.26 116.78 4.38 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -63.3 105.95 0.82 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.253 -1.145 . . . . 0.0 109.435 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.5 mt -143.28 97.76 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.216 -0.927 . . . . 0.0 109.028 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.65 93.31 6.66 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.506 -0.747 . . . . 0.0 109.392 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -148.3 -174.18 4.52 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.322 -0.861 . . . . 0.0 109.409 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.447 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 88.8 t -74.34 142.81 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.392 -0.818 . . . . 0.0 108.891 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 10.2 m-70 -149.62 147.56 28.27 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.391 -0.818 . . . . 0.0 109.777 -179.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -85.89 94.64 9.22 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.1 p -87.84 124.44 67.21 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.099 -1.0 . . . . 0.0 109.093 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.639 ' HA ' HG22 ' A' ' 112' ' ' THR . 71.0 Cg_exo -48.05 140.3 19.25 Favored 'Trans proline' 0 N--CA 1.499 1.852 0 C-N-CA 121.766 1.644 . . . . 0.0 113.445 -179.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.57 -31.24 71.82 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.38 -0.825 . . . . 0.0 109.314 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 p -62.88 -27.93 69.69 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.825 -0.547 . . . . 0.0 112.259 -177.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 m -102.07 23.5 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.247 0 O-C-N 120.755 -1.216 . . . . 0.0 111.397 -178.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.7 mt -91.38 124.24 35.42 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.699 -1.251 . . . . 0.0 108.839 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.2 mt -91.09 120.49 40.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.478 -0.764 . . . . 0.0 110.29 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.3 mtt-85 -134.88 93.64 17.37 Favored Pre-proline 0 N--CA 1.497 1.915 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -99.31 28.95 0.13 Allowed 'Trans proline' 0 C--N 1.312 -1.372 0 C-N-CA 123.063 2.509 . . . . 0.0 112.276 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.3 tp -138.4 104.26 7.83 Favored Pre-proline 0 N--CA 1.501 2.102 0 O-C-N 121.26 -0.9 . . . . 0.0 109.769 -178.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.32 169.44 0.15 Allowed 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 121.812 1.674 . . . . 0.0 112.176 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.6 m -158.54 163.16 37.3 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -0.953 . . . . 0.0 109.753 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.2 t -105.65 110.45 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.9 mt -92.27 145.87 24.15 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.14 -0.975 . . . . 0.0 110.933 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -101.47 134.34 20.32 Favored Pre-proline 0 C--N 1.298 -1.668 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 178.85 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -75.23 -20.14 16.7 Favored 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 122.071 1.847 . . . . 0.0 113.071 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.541 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.09 -44.96 12.54 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.983 -1.073 . . . . 0.0 110.266 -179.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.74 ' HD3' ' H2 ' ' A' ' 1' ' ' ATP . 0.1 OUTLIER -67.85 -31.4 71.21 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.181 -0.95 . . . . 0.0 109.76 -179.126 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 58' ' ' ASP . 54.8 t -68.2 -52.73 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 120.839 -1.163 . . . . 0.0 109.074 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -50.26 -39.34 44.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.242 -0.911 . . . . 0.0 109.272 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.649 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 39.7 t -61.79 -38.01 86.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.282 -0.886 . . . . 0.0 109.339 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.8 mt -75.66 -47.9 24.39 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.276 -0.89 . . . . 0.0 108.728 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.6 t -56.18 -32.18 33.82 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -75.99 -35.42 59.6 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.407 -0.808 . . . . 0.0 109.428 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.4 m -67.01 -51.53 53.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.176 -0.952 . . . . 0.0 109.534 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.7 mt -58.05 -40.67 77.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.365 -0.835 . . . . 0.0 109.07 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -73.25 -32.19 64.55 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.305 -0.872 . . . . 0.0 110.56 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -91.43 -38.18 12.73 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.822 -1.174 . . . . 0.0 110.262 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -155.42 98.45 2.33 Favored Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.037 -1.039 . . . . 0.0 109.704 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.48 -3.84 14.45 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.677 1.584 . . . . 0.0 112.998 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -89.57 -27.97 19.88 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.895 -1.128 . . . . 0.0 110.8 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.9 t -84.07 23.1 1.08 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.74 -1.225 . . . . 0.0 109.631 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 t -120.68 108.72 36.91 Favored Pre-proline 0 N--CA 1.5 2.056 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -76.14 162.32 34.35 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.694 1.596 . . . . 0.0 113.092 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.23 172.88 15.5 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 122.866 2.377 . . . . 0.0 112.087 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.439 HG22 ' NH2' ' A' ' 101' ' ' ARG . 6.0 pt -111.94 165.39 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.688 -0.633 . . . . 0.0 109.335 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -89.69 137.47 32.3 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.196 -0.94 . . . . 0.0 108.864 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.4 t -138.66 138.4 42.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.674 -0.641 . . . . 0.0 109.303 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.2 mt -88.63 130.0 35.38 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.418 -0.801 . . . . 0.0 109.627 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -107.03 112.73 25.81 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.1 mt -128.36 141.4 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.28 -0.887 . . . . 0.0 109.91 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.593 ' HZ3' ' CG ' ' A' ' 91' ' ' ASP . 1.0 OUTLIER -101.36 156.17 17.61 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.615 -0.678 . . . . 0.0 109.255 -179.479 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.04 -171.36 31.16 Favored Glycine 0 N--CA 1.497 2.719 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.29 -12.84 61.69 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.719 -0.871 . . . . 0.0 111.002 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -120.22 22.85 11.22 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.085 -1.01 . . . . 0.0 110.189 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 81.09 -10.97 45.32 Favored Glycine 0 N--CA 1.491 2.362 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.076 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.51 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -51.01 113.62 2.3 Favored Glycine 0 N--CA 1.486 2.014 0 O-C-N 120.966 -1.314 . . . . 0.0 109.861 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.593 ' CG ' ' HZ3' ' A' ' 85' ' ' LYS . 20.3 m-20 -77.79 134.18 38.07 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.44 -1.035 . . . . 0.0 109.234 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.51 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.1 m-85 -128.78 128.98 45.04 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -106.07 122.13 45.55 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.212 -0.93 . . . . 0.0 110.234 -178.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -106.83 136.37 46.79 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.599 -0.688 . . . . 0.0 109.181 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.1 123.42 41.52 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -129.32 88.24 2.67 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.524 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 136.43 -166.99 24.63 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 108.703 -1.759 . . . . 0.0 108.703 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.417 ' N ' ' O3G' ' A' ' 1' ' ' ATP . . . 46.3 14.78 0.11 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' A' ' 97' ' ' GLY . 7.3 m -49.56 -49.55 45.85 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.059 -1.259 . . . . 0.0 109.486 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.638 ' ND1' ' O1G' ' A' ' 1' ' ' ATP . 34.2 m80 -59.99 -41.8 92.86 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.165 -0.96 . . . . 0.0 109.323 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.449 ' NH2' ' O1A' ' A' ' 1' ' ' ATP . 40.9 mtm180 -66.29 -31.1 71.69 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.053 -1.029 . . . . 0.0 109.291 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -66.26 -42.71 88.15 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.986 -1.071 . . . . 0.0 108.504 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.93 99.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.34 -0.85 . . . . 0.0 109.537 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.98 92.4 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.233 -0.917 . . . . 0.0 109.415 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -68.34 -42.25 79.56 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.198 -0.939 . . . . 0.0 108.85 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -62.63 -42.61 99.69 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.212 -0.93 . . . . 0.0 109.513 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -62.3 -36.29 81.68 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.312 -0.867 . . . . 0.0 109.573 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 110' ' ' ARG . 97.1 mt -80.51 16.99 1.18 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.277 -0.89 . . . . 0.0 109.488 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 41.77 26.2 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.604 -0.685 . . . . 0.0 110.864 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 108' ' ' LEU . 16.3 mmt180 -58.14 156.93 8.85 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 120.961 -1.087 . . . . 0.0 108.637 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -81.87 -41.9 20.35 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.424 -0.797 . . . . 0.0 110.34 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.639 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.1 p -134.31 177.46 7.74 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.031 -1.043 . . . . 0.0 110.349 -179.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.62 141.33 27.82 Favored Pre-proline 0 N--CA 1.503 2.184 0 O-C-N 121.661 -0.649 . . . . 0.0 109.632 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -66.98 130.92 24.06 Favored 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 120.941 1.094 . . . . 0.0 110.852 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -150.42 132.27 15.08 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.164 -0.96 . . . . 0.0 109.713 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 19.2 tttm -76.8 114.78 15.94 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.446 -0.784 . . . . 0.0 109.211 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 48.2 mt -79.31 133.58 36.63 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.962 -1.086 . . . . 0.0 109.079 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 57.9 t -134.53 116.27 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.617 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 4.0 mp0 -54.19 135.95 43.27 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.11 -0.994 . . . . 0.0 109.108 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.3 m -138.36 -179.57 5.87 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.26 -0.9 . . . . 0.0 109.248 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.2 p -127.84 161.82 28.13 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.613 -0.68 . . . . 0.0 109.406 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.8 tp -56.88 -36.84 70.57 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.15 -0.969 . . . . 0.0 109.819 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 35.1 t -54.26 -45.79 72.48 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.825 -1.172 . . . . 0.0 109.417 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.24 -46.92 76.03 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.146 -0.971 . . . . 0.0 108.449 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.8 tp -58.94 -38.47 79.07 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.024 -1.047 . . . . 0.0 108.962 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -56.56 -35.69 68.45 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.158 -0.964 . . . . 0.0 109.219 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 81.4 t -59.22 -33.41 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -90.51 -48.82 6.86 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.309 -0.869 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 131' ' ' ALA . 62.6 mt -116.08 44.25 1.98 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.454 -0.779 . . . . 0.0 110.302 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.65 39.18 0.1 OUTLIER Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.968 -1.111 . . . . 0.0 110.431 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.36 -58.87 0.13 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.853 -1.381 . . . . 0.0 109.618 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 17.8 m -98.65 36.43 1.65 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 120.998 -1.064 . . . . 0.0 109.248 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.35 119.8 77.7 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.3 -0.875 . . . . 0.0 109.969 -179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -79.16 -173.47 1.89 Allowed 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.95 1.767 . . . . 0.0 111.44 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.551 ' C ' HE21 ' A' ' 137' ' ' GLN . 44.5 t0 -109.24 121.79 45.92 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.529 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 94.2 mt -80.42 136.59 36.38 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.482 -0.761 . . . . 0.0 110.325 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.551 HE21 ' C ' ' A' ' 135' ' ' ASP . 61.1 mm-40 . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.222 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ATP . . . . . 0.74 ' H2 ' ' HD3' ' A' ' 61' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.676 ' HB1' ' HD2' ' A' ' 19' ' ' PRO . . . -70.67 171.52 8.0 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.248 -1.148 . . . . 0.0 108.898 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.676 ' HD2' ' HB1' ' A' ' 18' ' ' ALA . 92.5 Cg_exo -43.33 98.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.493 2.128 . . . . 0.0 112.329 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -76.53 50.72 0.69 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.266 -0.897 . . . . 0.0 109.504 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.59 -69.87 1.15 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.456 -1.458 . . . . 0.0 109.456 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.25 1.42 7.87 Favored 'Trans proline' 0 C--N 1.307 -1.636 0 C-N-CA 122.821 2.347 . . . . 0.0 111.956 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' A' ' 25' ' ' SER . . . -77.7 -175.91 44.53 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -46.08 -8.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.805 2.337 . . . . 0.0 112.31 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' GLY . 47.9 p -49.98 153.48 1.34 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.288 -0.883 . . . . 0.0 109.453 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.14 35.96 28.94 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -74.08 -27.3 66.64 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.08 -39.35 71.98 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.228 -1.16 . . . . 0.0 109.494 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.439 ' CD ' ' N ' ' A' ' 29' ' ' GLN . 24.4 mp0 -72.48 128.27 35.1 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.239 -0.913 . . . . 0.0 109.458 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 164.68 52.56 0.02 OUTLIER Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 169.73 -58.26 0.19 Allowed Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.3 m -165.73 169.29 15.29 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.304 -1.115 . . . . 0.0 109.435 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.2 tp -163.89 -36.14 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.26 -0.9 . . . . 0.0 109.187 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -79.26 -80.83 0.12 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.244 -0.91 . . . . 0.0 109.458 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 84.4 p -163.0 -134.58 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.26 -0.9 . . . . 0.0 109.498 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.44 -24.09 3.21 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -70.45 141.82 52.02 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.246 -1.15 . . . . 0.0 109.464 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.7 mt -143.91 97.75 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.267 -0.896 . . . . 0.0 108.994 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.38 107.17 18.7 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.525 -0.734 . . . . 0.0 109.417 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -151.43 -175.25 5.11 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.29 -0.881 . . . . 0.0 109.534 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.425 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 91.6 t -81.97 143.31 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.369 -0.832 . . . . 0.0 109.227 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.425 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 25.3 m-70 -148.85 162.45 39.8 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.374 -0.829 . . . . 0.0 109.579 -179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -99.89 94.57 6.37 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 178.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.2 p -87.6 126.79 60.72 Favored Pre-proline 0 N--CA 1.498 1.936 0 O-C-N 121.291 -0.881 . . . . 0.0 109.442 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.643 ' HA ' HG22 ' A' ' 112' ' ' THR . 73.5 Cg_exo -48.06 140.23 19.42 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 121.807 1.671 . . . . 0.0 113.503 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.3 mt -66.45 -31.79 72.75 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 121.831 0.824 . . . . 0.0 109.425 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.0 p -62.81 -27.8 69.56 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.759 -0.588 . . . . 0.0 112.28 -177.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.8 m -101.97 25.38 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.242 0 O-C-N 120.788 -1.195 . . . . 0.0 111.442 -178.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 49' ' ' LEU . 71.2 mt -90.67 128.15 36.54 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.708 -1.245 . . . . 0.0 108.56 178.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.4 mt -97.79 119.29 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.395 -0.816 . . . . 0.0 110.635 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 76.6 mtt-85 -134.15 94.9 17.34 Favored Pre-proline 0 N--CA 1.494 1.752 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -97.31 27.92 0.19 Allowed 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.959 2.439 . . . . 0.0 112.062 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.9 tp -138.51 105.1 7.69 Favored Pre-proline 0 N--CA 1.499 1.991 0 O-C-N 121.315 -0.866 . . . . 0.0 109.719 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -49.04 169.42 0.1 OUTLIER 'Trans proline' 0 N--CA 1.497 1.715 0 C-N-CA 121.917 1.745 . . . . 0.0 112.309 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.0 m -158.07 162.36 38.06 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.197 -0.939 . . . . 0.0 109.787 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 56' ' ' VAL . 2.6 p -106.4 120.28 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.5 mt -104.27 145.86 29.63 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 122.228 1.013 . . . . 0.0 111.009 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -102.47 134.4 19.97 Favored Pre-proline 0 C--N 1.298 -1.634 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 178.83 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -75.25 -20.25 16.55 Favored 'Trans proline' 0 N--CA 1.498 1.742 0 C-N-CA 122.023 1.815 . . . . 0.0 113.164 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.537 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -85.0 -43.75 13.68 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.021 -1.049 . . . . 0.0 110.235 -179.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.425 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 8.6 ttmt -69.44 -31.39 69.69 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.191 -0.943 . . . . 0.0 109.903 -179.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 58' ' ' ASP . 55.1 t -67.94 -46.19 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 120.927 -1.108 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -58.88 -36.46 74.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.092 -1.005 . . . . 0.0 108.651 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.6 t -61.45 -37.72 84.58 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.258 -0.901 . . . . 0.0 109.165 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.1 mt -74.48 -48.03 29.77 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.2 t -54.75 -30.69 22.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -76.14 -35.35 59.28 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.501 -0.749 . . . . 0.0 109.466 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.4 m -67.63 -45.54 75.07 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.229 -0.919 . . . . 0.0 109.319 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.622 ' CG2' HH12 ' A' ' 110' ' ' ARG . 11.1 mt -65.36 -38.75 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 O-C-N 121.446 -0.784 . . . . 0.0 109.515 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mtp-105 -77.13 -35.23 56.35 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.22 -0.925 . . . . 0.0 110.327 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -90.43 -32.64 16.32 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.896 -1.128 . . . . 0.0 110.552 -178.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.422 ' OD2' ' OD2' ' A' ' 74' ' ' ASP . 24.5 t70 -158.21 96.19 1.89 Allowed Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.014 -1.054 . . . . 0.0 109.937 -179.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -78.26 2.25 8.2 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 121.771 1.647 . . . . 0.0 112.914 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' A' ' 76' ' ' VAL . 1.1 p-10 -89.65 -43.23 10.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.988 -1.07 . . . . 0.0 109.938 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.0 m -71.86 25.58 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.035 -1.041 . . . . 0.0 109.925 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.481 ' H ' ' C ' ' A' ' 74' ' ' ASP . 2.2 t -122.23 104.71 37.59 Favored Pre-proline 0 N--CA 1.499 2.013 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -79.84 160.31 24.44 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.873 1.716 . . . . 0.0 112.758 -178.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.24 172.15 15.45 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 122.842 2.361 . . . . 0.0 112.111 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 pt -110.47 165.04 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -87.51 134.07 33.67 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.264 -0.897 . . . . 0.0 108.652 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.2 t -138.15 138.93 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.318 -0.864 . . . . 0.0 109.479 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 mt -86.2 137.57 32.54 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.5 -0.75 . . . . 0.0 109.758 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -116.27 102.97 10.03 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.3 mt -119.21 150.58 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.41 -0.806 . . . . 0.0 109.549 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.486 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 34.2 mttp -113.46 156.92 22.66 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-O 121.83 0.824 . . . . 0.0 110.322 -179.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.27 -174.81 40.58 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.48 -7.11 23.02 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.675 -0.897 . . . . 0.0 110.862 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -126.46 24.78 6.65 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.091 -1.005 . . . . 0.0 110.664 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.29 -13.53 39.19 Favored Glycine 0 N--CA 1.495 2.602 0 O-C-N 120.964 -1.085 . . . . 0.0 111.094 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.525 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.58 108.57 0.4 Allowed Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.486 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 19.5 m-20 -77.35 134.67 38.42 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.49 -1.006 . . . . 0.0 109.351 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.525 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.4 m-85 -129.56 127.11 40.04 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -101.78 115.97 31.7 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.181 -0.949 . . . . 0.0 110.07 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -103.46 134.7 46.38 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.43 134.27 51.03 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.492 -0.755 . . . . 0.0 109.018 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -133.07 90.46 2.75 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 132.49 -159.31 23.36 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 107.979 -2.049 . . . . 0.0 107.979 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.7 26.52 1.85 Allowed Glycine 0 N--CA 1.494 2.552 0 O-C-N 121.158 -1.201 . . . . 0.0 110.206 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.5 m -64.19 -56.99 10.84 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.013 -1.287 . . . . 0.0 110.163 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.688 ' HB2' ' O3G' ' A' ' 1' ' ' ATP . 38.4 m80 -54.84 -37.47 66.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.9 -1.125 . . . . 0.0 109.629 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 1.157 ' NH2' ' O2B' ' A' ' 1' ' ' ATP . 39.2 mtm180 -68.21 -30.76 69.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.049 -1.032 . . . . 0.0 109.622 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -66.67 -43.46 84.44 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.028 -1.045 . . . . 0.0 108.8 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.8 92.98 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.275 -0.89 . . . . 0.0 109.811 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.71 -47.48 85.08 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.108 -0.995 . . . . 0.0 109.574 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -66.77 -41.55 87.53 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.135 -0.978 . . . . 0.0 108.887 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.431 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -61.59 -47.94 83.21 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.264 -0.898 . . . . 0.0 109.479 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.467 ' C ' ' H ' ' A' ' 109' ' ' GLN . 55.4 tt0 -59.38 -41.61 89.74 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.263 -0.898 . . . . 0.0 109.786 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.2 10.98 0.36 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.246 -0.909 . . . . 0.0 109.541 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.467 ' H ' ' C ' ' A' ' 107' ' ' GLN . 45.3 mm-40 45.97 30.01 0.84 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.333 -0.854 . . . . 0.0 110.232 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.622 HH12 ' CG2' ' A' ' 69' ' ' ILE . 19.8 mmt85 -65.43 155.07 36.63 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 120.933 -1.104 . . . . 0.0 108.55 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -81.1 -42.2 21.34 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.381 -0.825 . . . . 0.0 110.478 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.643 HG22 ' HA ' ' A' ' 45' ' ' PRO . 39.7 p -133.44 177.68 7.5 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.026 -1.047 . . . . 0.0 110.29 -178.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -139.78 141.6 28.25 Favored Pre-proline 0 N--CA 1.502 2.144 0 O-C-N 121.674 -0.641 . . . . 0.0 109.715 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -67.88 135.85 36.58 Favored 'Trans proline' 0 N--CA 1.491 1.362 0 CA-C-N 120.106 1.074 . . . . 0.0 110.519 178.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.6 133.42 12.22 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.278 -0.889 . . . . 0.0 109.553 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -76.67 110.29 11.12 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.389 -0.819 . . . . 0.0 109.067 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 60.8 mt -71.96 137.74 47.54 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.917 -1.115 . . . . 0.0 108.573 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 61.5 t -136.02 104.25 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.494 -0.754 . . . . 0.0 109.451 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.607 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.4 mp0 -46.1 133.11 9.3 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.279 -0.888 . . . . 0.0 109.601 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.1 m -138.34 178.31 7.23 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.364 -0.835 . . . . 0.0 109.226 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.536 ' H ' ' CG ' ' A' ' 124' ' ' ASP . 7.0 p -126.91 160.46 30.95 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.6 tp -53.32 -40.5 64.87 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.044 -1.035 . . . . 0.0 109.399 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 11.7 t -53.26 -40.56 64.74 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.961 -1.087 . . . . 0.0 108.613 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.536 ' CG ' ' H ' ' A' ' 121' ' ' THR . 1.8 m-20 -56.02 -39.48 72.0 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.169 -0.957 . . . . 0.0 108.732 179.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.1 tp -69.41 -35.22 75.52 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.18 -0.95 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 130' ' ' GLY . 19.3 ttp180 -59.09 -38.42 79.47 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.974 -1.079 . . . . 0.0 108.451 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 60.5 t -55.43 -37.13 43.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 121.206 -0.934 . . . . 0.0 108.611 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -89.54 -47.65 7.83 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.158 -0.964 . . . . 0.0 110.942 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 131' ' ' ALA . 70.0 mt -117.31 45.87 1.81 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.438 -0.789 . . . . 0.0 110.344 -178.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 126' ' ' ARG . . . -64.57 39.51 0.1 OUTLIER Glycine 0 N--CA 1.49 2.26 0 C-N-CA 119.792 -1.194 . . . . 0.0 110.448 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -153.91 -57.17 0.12 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.797 -1.413 . . . . 0.0 109.616 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 31.8 m -99.15 37.28 1.57 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.103 -0.998 . . . . 0.0 109.374 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -77.56 118.11 69.94 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.287 -0.883 . . . . 0.0 109.824 -179.387 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -79.8 -174.3 2.21 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 121.939 1.76 . . . . 0.0 111.303 178.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.47 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 46.4 t0 -104.88 127.91 52.89 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.791 0.805 . . . . 0.0 109.129 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.525 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 96.7 mt -91.06 138.54 31.53 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 121.535 0.684 . . . . 0.0 110.371 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 58.7 mm-40 . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.011 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ATP . . . . . 1.157 ' O2B' ' NH2' ' A' ' 101' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.16 67.61 2.38 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.259 -1.142 . . . . 0.0 109.452 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -46.11 115.24 1.04 Allowed 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.843 2.362 . . . . 0.0 112.267 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -77.58 55.56 1.33 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.203 -0.936 . . . . 0.0 109.443 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.75 -178.45 53.28 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -46.12 -41.6 21.44 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.81 2.34 . . . . 0.0 112.285 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.95 60.53 2.55 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.71 -93.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.735 2.29 . . . . 0.0 112.007 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.2 p -79.25 -62.21 1.77 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.225 -0.922 . . . . 0.0 109.488 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.05 178.13 50.54 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.93 -38.46 1.97 Allowed Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.13 -54.14 50.08 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.238 -1.154 . . . . 0.0 109.488 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -70.32 130.19 41.33 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.231 -0.918 . . . . 0.0 109.498 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 56.27 -124.85 35.94 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 162.03 57.11 0.02 OUTLIER Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.7 p -51.98 160.52 0.71 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.249 -1.148 . . . . 0.0 109.477 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.517 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 16.9 tt -167.21 161.31 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.219 -0.925 . . . . 0.0 109.503 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 33' ' ' ILE . 85.7 m-70 -159.3 156.99 29.66 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.327 -0.858 . . . . 0.0 109.476 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.9 t -80.37 -151.2 0.07 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.269 -0.894 . . . . 0.0 109.586 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 161.01 -48.63 0.37 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.4 mmm-85 -67.58 108.29 2.82 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.296 -1.12 . . . . 0.0 109.387 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.4 mt -143.35 97.56 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.158 -0.964 . . . . 0.0 109.113 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -95.27 102.68 14.51 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.474 -0.767 . . . . 0.0 109.26 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.38 -174.82 5.02 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.283 -0.886 . . . . 0.0 109.728 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.487 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 99.5 t -75.27 143.93 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.44 -0.788 . . . . 0.0 109.05 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.487 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 12.8 m-70 -150.71 162.91 39.79 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.363 -0.835 . . . . 0.0 109.564 -179.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -101.88 94.43 5.8 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.3 p -87.29 124.87 67.53 Favored Pre-proline 0 N--CA 1.497 1.913 0 O-C-N 121.2 -0.938 . . . . 0.0 109.476 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.644 ' HA ' HG22 ' A' ' 112' ' ' THR . 72.0 Cg_exo -47.75 140.07 17.98 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 121.805 1.67 . . . . 0.0 113.397 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mt -66.75 -31.47 72.14 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-O 121.774 0.797 . . . . 0.0 109.31 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p -62.85 -27.34 69.27 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.794 -0.566 . . . . 0.0 112.155 -177.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.5 m -103.12 24.92 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.244 0 O-C-N 120.812 -1.18 . . . . 0.0 111.339 -178.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.8 mt -90.01 134.76 34.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.631 -1.293 . . . . 0.0 108.572 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.7 mt -102.47 115.16 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.547 -0.721 . . . . 0.0 109.727 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.5 mtt-85 -133.65 94.56 18.98 Favored Pre-proline 0 N--CA 1.496 1.873 0 O-C-N 121.628 -0.67 . . . . 0.0 109.638 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -98.94 29.95 0.13 Allowed 'Trans proline' 0 C--N 1.312 -1.364 0 C-N-CA 123.152 2.568 . . . . 0.0 111.858 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.5 tt -141.18 87.74 10.52 Favored Pre-proline 0 N--CA 1.496 1.839 0 O-C-N 121.234 -0.916 . . . . 0.0 109.941 -178.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.29 169.49 0.11 Allowed 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.4 2.067 . . . . 0.0 111.875 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 m -159.24 165.35 33.75 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.118 -0.988 . . . . 0.0 109.995 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 56' ' ' VAL . 2.8 p -95.32 116.47 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 N-CA-C 108.407 -0.961 . . . . 0.0 108.407 179.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 75.5 mt -98.77 146.22 26.13 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 122.146 0.974 . . . . 0.0 110.907 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -100.85 133.98 20.77 Favored Pre-proline 0 C--N 1.299 -1.597 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.216 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.552 ' O ' ' NE2' ' A' ' 63' ' ' GLN . 77.3 Cg_endo -75.49 -21.51 14.9 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 121.941 1.761 . . . . 0.0 113.113 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.53 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -82.57 -40.1 21.36 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.744 -1.222 . . . . 0.0 109.964 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -73.67 -30.78 63.1 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.231 -0.918 . . . . 0.0 109.921 -179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 58' ' ' ASP . 75.7 t -71.92 -52.42 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.837 -1.164 . . . . 0.0 108.537 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.552 ' NE2' ' O ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -50.07 -39.8 43.42 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 179.602 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 57.5 m -62.6 -41.04 98.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.32 -0.862 . . . . 0.0 109.274 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.1 mt -71.03 -41.96 70.16 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.21 -0.931 . . . . 0.0 108.681 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.4 t -55.67 -36.53 42.91 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -76.46 -32.22 58.28 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.487 -0.758 . . . . 0.0 109.823 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.3 m -67.27 -51.82 48.32 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.144 -0.972 . . . . 0.0 109.593 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.1 mt -58.44 -41.12 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.388 -0.82 . . . . 0.0 109.164 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.442 ' NE ' HD22 ' A' ' 108' ' ' LEU . 58.4 mtt180 -77.15 -32.83 56.57 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.26 -0.9 . . . . 0.0 110.277 -179.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -85.46 -36.03 20.86 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.842 -1.161 . . . . 0.0 109.958 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -153.67 93.76 3.01 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.308 -0.87 . . . . 0.0 109.44 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.55 -21.26 40.11 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.389 1.393 . . . . 0.0 112.85 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -84.69 -24.99 28.72 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.896 -1.127 . . . . 0.0 110.365 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.3 t -79.08 18.08 0.69 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.941 -1.1 . . . . 0.0 109.514 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 t -124.35 112.42 27.96 Favored Pre-proline 0 N--CA 1.5 2.026 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -76.6 162.19 33.27 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 121.651 1.567 . . . . 0.0 113.016 -178.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -77.19 170.77 18.99 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.847 2.365 . . . . 0.0 112.116 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.3 pt -110.0 167.72 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.693 -0.629 . . . . 0.0 109.307 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.72 139.93 30.2 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.155 -0.965 . . . . 0.0 108.806 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.3 t -139.52 139.16 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.485 -0.76 . . . . 0.0 109.357 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.6 mt -87.18 124.46 33.31 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.357 -0.84 . . . . 0.0 109.718 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -102.27 111.37 23.63 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.405 HG21 HD13 ' A' ' 84' ' ' ILE . 18.0 mt -127.41 138.57 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.274 -0.891 . . . . 0.0 109.979 -179.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.56 ' NZ ' ' OD2' ' A' ' 91' ' ' ASP . 2.6 tttp -100.51 156.16 17.44 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.662 -0.649 . . . . 0.0 109.384 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.02 -169.9 32.26 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.56 -7.16 36.08 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.676 -0.897 . . . . 0.0 110.696 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -129.84 39.8 3.65 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.098 -1.001 . . . . 0.0 110.763 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.63 -13.21 0.87 Allowed Glycine 0 N--CA 1.493 2.497 0 O-C-N 121.176 -0.953 . . . . 0.0 111.575 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.439 ' O ' ' CE1' ' A' ' 92' ' ' TYR . . . -51.75 112.25 1.8 Allowed Glycine 0 N--CA 1.485 1.955 0 O-C-N 120.781 -1.423 . . . . 0.0 109.86 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.56 ' OD2' ' NZ ' ' A' ' 85' ' ' LYS . 18.7 m-20 -80.02 133.96 36.19 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.502 -0.999 . . . . 0.0 109.318 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.439 ' CE1' ' O ' ' A' ' 90' ' ' GLY . 97.0 m-85 -126.51 123.14 37.11 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -100.16 121.7 41.84 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.188 -0.945 . . . . 0.0 110.367 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -110.24 130.64 55.51 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.49 127.35 50.96 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -128.99 87.73 2.61 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 178.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 137.98 -165.71 25.32 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 108.771 -1.732 . . . . 0.0 108.771 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.634 ' N ' ' O1G' ' A' ' 1' ' ' ATP . . . 46.28 14.76 0.11 Allowed Glycine 0 N--CA 1.492 2.38 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 97' ' ' GLY . 4.7 m -49.74 -52.08 34.26 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.048 -1.266 . . . . 0.0 109.683 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -57.59 -37.58 73.43 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.065 -1.022 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.807 ' NH2' ' O1A' ' A' ' 1' ' ' ATP . 41.5 mtm180 -69.18 -30.92 69.23 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.077 -1.014 . . . . 0.0 109.534 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -65.05 -42.76 93.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.028 -1.045 . . . . 0.0 108.563 179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.24 95.36 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.356 -0.84 . . . . 0.0 109.534 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.65 -46.27 90.97 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.227 -0.921 . . . . 0.0 109.498 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -68.17 -42.72 79.61 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.277 -0.89 . . . . 0.0 108.979 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.429 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -61.02 -52.01 66.79 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.298 -0.876 . . . . 0.0 109.554 -179.757 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 16.8 tm0? -54.8 -39.57 68.59 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.355 -0.84 . . . . 0.0 110.029 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.442 HD22 ' NE ' ' A' ' 70' ' ' ARG . 95.0 mt -73.1 10.14 1.02 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.153 -0.967 . . . . 0.0 109.687 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 44.89 37.33 2.3 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.299 -0.875 . . . . 0.0 110.387 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -72.82 159.25 34.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.123 -0.985 . . . . 0.0 108.829 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -82.14 -42.74 18.67 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.453 -0.779 . . . . 0.0 110.204 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.644 HG22 ' HA ' ' A' ' 45' ' ' PRO . 39.1 p -133.2 177.5 7.62 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.046 -1.034 . . . . 0.0 110.48 -178.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.6 tt -138.17 141.25 31.37 Favored Pre-proline 0 N--CA 1.502 2.158 0 O-C-N 121.656 -0.652 . . . . 0.0 110.076 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -68.24 132.58 26.25 Favored 'Trans proline' 0 N--CA 1.491 1.376 0 CA-C-N 119.935 1.012 . . . . 0.0 110.731 177.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -154.04 133.8 12.98 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.197 -0.939 . . . . 0.0 109.495 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.41 111.55 13.22 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.394 -0.817 . . . . 0.0 109.025 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 57.7 mt -73.03 137.29 45.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.978 -1.076 . . . . 0.0 108.456 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 77.1 t -137.41 104.73 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.427 -0.795 . . . . 0.0 109.532 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.607 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 28.5 mp0 -46.1 134.06 8.62 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.218 -0.926 . . . . 0.0 109.604 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.5 m -140.01 -179.05 5.74 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.376 -0.828 . . . . 0.0 109.33 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.3 p -128.16 160.52 31.8 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.568 -0.708 . . . . 0.0 109.514 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 26.6 tp -55.47 -23.11 23.88 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.25 -0.906 . . . . 0.0 109.809 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 35.8 t -64.69 -48.77 73.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.918 -1.114 . . . . 0.0 109.509 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -55.08 -42.37 72.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.078 -1.014 . . . . 0.0 108.784 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.3 tp -62.18 -38.28 88.45 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 120.945 -1.097 . . . . 0.0 108.935 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -56.57 -37.34 70.44 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.183 -0.948 . . . . 0.0 109.057 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 86.4 t -58.39 -33.82 48.8 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.18 -0.95 . . . . 0.0 108.477 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -90.38 -48.73 6.94 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.245 -0.91 . . . . 0.0 110.994 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 131' ' ' ALA . 67.0 mt -116.08 43.32 2.17 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.466 -0.771 . . . . 0.0 110.485 -177.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.69 38.48 0.1 Allowed Glycine 0 N--CA 1.487 2.061 0 C-N-CA 119.971 -1.109 . . . . 0.0 110.433 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.41 -59.41 0.15 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.827 -1.396 . . . . 0.0 109.445 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 21.8 t -97.99 38.0 1.36 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.019 -1.05 . . . . 0.0 109.136 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.5 119.53 77.49 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.361 -0.837 . . . . 0.0 109.933 -179.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -80.97 -174.25 2.16 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.054 1.836 . . . . 0.0 111.428 178.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.468 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 45.0 t0 -107.06 130.31 54.68 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 121.74 0.781 . . . . 0.0 108.96 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.529 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 94.1 mt -90.11 136.45 33.04 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-O 121.455 0.645 . . . . 0.0 110.378 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 59.4 mm-40 . . . . . 0 N--CA 1.497 1.913 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.275 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ATP . . . . . 0.807 ' O1A' ' NH2' ' A' ' 101' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.8 153.2 23.36 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.236 -1.155 . . . . 0.0 109.089 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_exo -36.93 136.86 0.28 Allowed 'Trans proline' 0 C--N 1.314 -1.266 0 C-N-CA 122.428 2.086 . . . . 0.0 112.401 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -67.55 143.02 56.33 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.26 -0.9 . . . . 0.0 109.487 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 159.93 -68.4 0.26 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.25 29.94 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.834 2.356 . . . . 0.0 111.991 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.32 60.42 0.27 Allowed Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.72 148.64 32.83 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.701 2.267 . . . . 0.0 111.998 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.519 ' O ' ' N ' ' A' ' 27' ' ' GLY . 30.8 p -50.08 -68.14 0.2 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.261 -0.899 . . . . 0.0 109.458 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -53.36 88.72 0.01 OUTLIER Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 25' ' ' SER . . . 175.16 71.55 0.05 OUTLIER Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.92 -4.02 32.54 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.275 -1.133 . . . . 0.0 109.498 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.501 ' OE1' ' N ' ' A' ' 29' ' ' GLN . 22.3 mp0 -75.65 -42.88 50.22 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.258 -0.901 . . . . 0.0 109.522 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -160.9 -169.93 24.82 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.481 -1.447 . . . . 0.0 109.481 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -166.3 38.95 0.26 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.5 m -168.98 140.92 2.57 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.265 -1.138 . . . . 0.0 109.508 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 mm -128.55 128.32 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 121.505 -0.747 . . . . 0.0 109.162 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -169.93 -23.49 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.296 -0.878 . . . . 0.0 109.442 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.7 t -170.02 45.73 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.283 -0.886 . . . . 0.0 109.406 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -77.53 38.3 1.65 Allowed Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -50.04 160.51 0.34 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.234 -1.157 . . . . 0.0 109.376 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.1 mt -143.5 97.71 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.239 -0.913 . . . . 0.0 109.074 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.27 106.07 13.62 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -153.84 -174.31 4.91 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.269 -0.895 . . . . 0.0 109.766 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.412 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 86.2 t -75.35 142.14 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.454 -0.779 . . . . 0.0 109.016 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.412 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 10.5 m-70 -147.84 147.01 29.34 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.443 -0.786 . . . . 0.0 109.588 -179.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -85.21 95.39 9.15 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.1 p -89.39 124.48 64.35 Favored Pre-proline 0 N--CA 1.497 1.878 0 O-C-N 121.187 -0.946 . . . . 0.0 109.101 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.646 ' HA ' HG22 ' A' ' 112' ' ' THR . 83.1 Cg_exo -47.77 140.42 17.63 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 121.955 1.77 . . . . 0.0 113.7 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.5 -28.5 67.89 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.333 -0.854 . . . . 0.0 108.915 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.2 t -69.81 -15.2 63.07 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.575 -0.703 . . . . 0.0 112.496 -177.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.9 m -112.54 23.49 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.291 0 O-C-N 120.675 -1.266 . . . . 0.0 110.639 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.0 mt -92.47 123.22 35.62 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.819 -1.176 . . . . 0.0 109.008 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.5 mt -88.56 122.23 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.334 -0.854 . . . . 0.0 109.926 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -134.94 94.53 16.22 Favored Pre-proline 0 N--CA 1.496 1.868 0 O-C-N 121.589 -0.694 . . . . 0.0 109.547 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.667 ' O ' HD12 ' A' ' 53' ' ' LEU . 15.7 Cg_endo -98.54 31.33 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 123.142 2.561 . . . . 0.0 112.145 178.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 52' ' ' PRO . 1.1 mp -141.18 137.69 17.04 Favored Pre-proline 0 N--CA 1.499 2.01 0 O-C-N 121.015 -1.053 . . . . 0.0 108.937 -179.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -75.04 167.51 26.86 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.255 1.97 . . . . 0.0 111.869 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.7 m -154.57 160.43 41.49 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.11 -0.994 . . . . 0.0 109.781 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.447 ' O ' ' CG1' ' A' ' 56' ' ' VAL . 2.5 p -108.65 120.13 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 179.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.4 mt -103.79 146.34 28.77 Favored 'General case' 0 N--CA 1.498 1.925 0 CA-C-O 122.014 0.911 . . . . 0.0 110.728 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 3.6 t70 -112.31 139.97 23.14 Favored Pre-proline 0 N--CA 1.491 1.595 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -73.82 -22.55 17.5 Favored 'Trans proline' 0 N--CA 1.497 1.68 0 C-N-CA 121.998 1.799 . . . . 0.0 112.977 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.455 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -78.88 -39.55 34.75 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.12 -0.987 . . . . 0.0 110.399 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -76.51 -32.22 58.16 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.972 -1.08 . . . . 0.0 109.911 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.5 t -69.75 -37.91 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 120.92 -1.112 . . . . 0.0 109.348 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -67.08 -38.21 85.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.17 -0.956 . . . . 0.0 108.727 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.807 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 9.1 t -64.0 -37.39 87.24 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.297 -0.877 . . . . 0.0 109.279 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.58 -47.0 20.48 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.263 -0.898 . . . . 0.0 108.835 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.3 t -54.59 -31.82 24.14 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 O-C-N 121.203 -0.936 . . . . 0.0 108.565 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.54 -39.95 51.36 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.39 -0.819 . . . . 0.0 109.781 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.6 m -64.64 -50.94 65.14 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.055 -1.028 . . . . 0.0 109.099 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.634 ' CG2' HH12 ' A' ' 110' ' ' ARG . 21.7 mt -55.85 -41.82 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.237 -0.914 . . . . 0.0 108.886 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.474 ' NE ' ' CD2' ' A' ' 108' ' ' LEU . 73.6 mtt180 -77.8 -23.13 49.19 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.335 -0.853 . . . . 0.0 110.714 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -97.14 -31.74 12.31 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.804 -1.185 . . . . 0.0 110.09 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -164.87 89.56 1.01 Allowed Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.207 -0.933 . . . . 0.0 109.906 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.77 -14.48 45.08 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 121.782 1.654 . . . . 0.0 113.698 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -84.02 -24.73 30.38 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.679 -1.263 . . . . 0.0 110.377 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.5 p -83.15 22.0 1.03 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.957 -1.09 . . . . 0.0 109.972 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.4 t -122.26 96.5 46.21 Favored Pre-proline 0 N--CA 1.501 2.111 0 O-C-N 121.235 -0.916 . . . . 0.0 109.306 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.56 156.19 6.55 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.478 2.119 . . . . 0.0 112.526 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.5 171.69 17.76 Favored 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 122.629 2.22 . . . . 0.0 111.757 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.506 HG22 ' NH2' ' A' ' 101' ' ' ARG . 9.7 pt -105.88 166.01 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.561 -0.712 . . . . 0.0 109.447 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -89.46 130.37 35.82 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.264 -0.897 . . . . 0.0 108.764 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.0 t -137.31 140.19 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.291 -0.88 . . . . 0.0 109.632 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.1 mt -91.5 133.18 35.73 Favored 'General case' 0 N--CA 1.5 2.063 0 CA-C-O 121.651 0.739 . . . . 0.0 109.855 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.438 ' NE1' ' OD1' ' A' ' 91' ' ' ASP . 11.4 t90 -108.7 113.32 26.19 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.8 mt -131.89 145.99 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.283 -0.885 . . . . 0.0 109.682 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.481 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 38.3 mttp -109.66 156.59 20.05 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-O 121.86 0.838 . . . . 0.0 110.421 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.3 -174.4 38.9 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.52 -6.94 22.12 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.671 -0.9 . . . . 0.0 110.844 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -126.37 24.94 6.68 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.087 -1.008 . . . . 0.0 110.675 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.47 -14.01 37.59 Favored Glycine 0 N--CA 1.496 2.643 0 C-N-CA 120.072 -1.061 . . . . 0.0 111.123 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.521 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -49.11 108.47 0.43 Allowed Glycine 0 N--CA 1.487 2.07 0 O-C-N 120.827 -1.396 . . . . 0.0 109.63 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.481 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 6.8 m-20 -77.72 136.02 38.12 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.444 -1.033 . . . . 0.0 108.922 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.521 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 98.8 m-85 -129.8 129.09 43.61 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -104.65 119.34 38.76 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.291 -0.881 . . . . 0.0 110.122 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -104.14 131.12 51.76 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.15 120.87 39.02 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -123.3 86.03 2.51 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 137.16 -152.74 21.55 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 108.613 -1.795 . . . . 0.0 108.613 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 45.09 16.72 0.08 OUTLIER Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 97' ' ' GLY . 7.0 m -50.58 -49.73 55.57 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.168 -1.195 . . . . 0.0 110.027 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -67.51 -55.08 14.94 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.169 -0.957 . . . . 0.0 110.053 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.506 ' NH2' HG22 ' A' ' 79' ' ' ILE . 43.4 mtm180 -53.51 -30.72 42.77 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.899 -1.126 . . . . 0.0 109.283 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -66.18 -43.79 85.87 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.963 -1.085 . . . . 0.0 108.52 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.11 -45.99 91.13 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.312 -0.868 . . . . 0.0 109.619 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.79 -44.48 86.3 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.166 -0.959 . . . . 0.0 109.428 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -69.55 -43.17 73.5 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.196 -0.94 . . . . 0.0 108.945 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.432 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -60.22 -50.89 71.88 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.245 -0.91 . . . . 0.0 109.471 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.408 ' C ' ' H ' ' A' ' 109' ' ' GLN . 11.0 tm0? -54.07 -42.67 69.56 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.473 -0.767 . . . . 0.0 110.03 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.474 ' CD2' ' NE ' ' A' ' 70' ' ' ARG . 75.8 mt -73.53 11.08 0.87 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.072 -1.018 . . . . 0.0 109.67 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.408 ' H ' ' C ' ' A' ' 107' ' ' GLN . 48.7 mm-40 45.36 28.89 0.51 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.341 -0.849 . . . . 0.0 110.283 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.634 HH12 ' CG2' ' A' ' 69' ' ' ILE . 21.0 mmt85 -63.41 156.11 26.98 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.015 -1.053 . . . . 0.0 108.52 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -80.3 -41.58 24.66 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.348 -0.845 . . . . 0.0 110.643 -178.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.646 HG22 ' HA ' ' A' ' 45' ' ' PRO . 33.9 p -133.17 177.05 7.97 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.997 -1.065 . . . . 0.0 110.763 -178.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.7 tt -139.86 141.56 27.92 Favored Pre-proline 0 N--CA 1.504 2.226 0 O-C-N 121.694 -0.629 . . . . 0.0 109.785 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.47 130.1 21.58 Favored 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 120.941 1.094 . . . . 0.0 110.838 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -145.42 137.2 25.39 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.22 -0.925 . . . . 0.0 109.738 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.5 tmtp? -80.46 111.86 17.26 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 42.9 mt -79.07 132.81 36.73 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.851 -1.156 . . . . 0.0 109.128 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 58.1 t -132.88 115.84 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.616 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 4.0 mp0 -54.19 134.71 44.56 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.026 -1.046 . . . . 0.0 109.111 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.1 m -138.15 -179.71 5.94 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.284 -0.885 . . . . 0.0 109.096 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.8 p -128.21 160.75 31.13 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.586 -0.696 . . . . 0.0 109.374 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.0 tp -55.26 -35.64 65.22 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.119 -0.988 . . . . 0.0 109.72 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.2 t -54.85 -46.01 74.62 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.871 -1.143 . . . . 0.0 109.428 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -55.39 -46.88 76.54 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.065 -1.022 . . . . 0.0 108.476 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.4 tp -58.74 -38.32 78.12 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.052 -1.03 . . . . 0.0 108.934 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.8 ttm-85 -57.55 -35.63 70.59 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.185 -0.947 . . . . 0.0 109.33 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 82.3 t -59.2 -33.53 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.067 -1.021 . . . . 0.0 108.325 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -90.69 -48.35 7.11 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.361 -0.837 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 131' ' ' ALA . 42.6 mt -115.73 44.24 1.93 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.383 -0.823 . . . . 0.0 110.216 -178.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.64 38.38 0.1 OUTLIER Glycine 0 N--CA 1.488 2.153 0 C-N-CA 119.959 -1.115 . . . . 0.0 110.35 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -154.71 -54.9 0.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.81 -1.406 . . . . 0.0 109.4 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.6 t -99.29 37.56 1.54 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.187 -0.945 . . . . 0.0 109.184 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.89 117.79 68.76 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.38 -0.825 . . . . 0.0 110.172 -179.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -81.27 -174.09 2.07 Favored 'Trans proline' 0 N--CA 1.488 1.204 0 C-N-CA 122.03 1.82 . . . . 0.0 111.117 178.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.473 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 43.9 t0 -105.66 128.39 53.62 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.43 -0.794 . . . . 0.0 109.013 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.52 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 95.9 mt -89.21 137.36 32.39 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-O 121.475 0.655 . . . . 0.0 110.274 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 58.7 mm-40 . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 117.904 -1.046 . . . . 0.0 109.037 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ATP . . . . . 0.807 ' N6 ' ' OG ' ' A' ' 64' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -167.07 152.85 7.49 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.229 -1.159 . . . . 0.0 109.081 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -72.76 164.97 34.08 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.278 1.985 . . . . 0.0 111.967 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -65.32 138.71 58.36 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.239 -0.913 . . . . 0.0 109.497 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.76 -59.82 0.23 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -45.88 150.39 1.76 Allowed 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.697 2.265 . . . . 0.0 112.249 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.06 60.39 6.87 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.63 163.88 33.18 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.725 2.284 . . . . 0.0 111.987 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 76.4 p -167.23 -152.94 0.14 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.274 -0.891 . . . . 0.0 109.452 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.03 100.36 0.18 Allowed Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.87 165.14 17.05 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.73 -12.18 1.75 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.255 -1.144 . . . . 0.0 109.475 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -60.24 160.94 7.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.204 -0.935 . . . . 0.0 109.433 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.2 157.33 11.62 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 160.99 -123.91 1.26 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.456 -1.458 . . . . 0.0 109.456 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.2 p -64.32 179.97 0.52 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.242 -1.152 . . . . 0.0 109.467 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.502 HG23 ' N ' ' A' ' 34' ' ' HIS . 14.6 tt -162.13 -41.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.261 -0.899 . . . . 0.0 109.498 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.502 ' N ' HG23 ' A' ' 33' ' ' ILE . 46.6 t-80 -73.45 -76.7 0.12 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.894 . . . . 0.0 109.449 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.8 t -162.67 155.48 19.44 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.222 -0.924 . . . . 0.0 109.479 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.43 -155.32 8.54 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -79.29 108.69 12.99 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.172 -1.193 . . . . 0.0 109.464 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.9 mt -143.81 97.83 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.157 -0.964 . . . . 0.0 108.902 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.66 90.66 8.46 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.537 -0.727 . . . . 0.0 109.468 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -144.8 -174.36 4.32 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.263 -0.898 . . . . 0.0 109.459 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.497 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 87.4 t -74.87 143.39 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.387 -0.821 . . . . 0.0 109.084 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 12.9 m-70 -151.31 145.79 25.57 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.336 -0.853 . . . . 0.0 109.732 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -83.45 95.46 8.27 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.408 ' CG1' HD21 ' A' ' 49' ' ' LEU . 4.1 p -88.96 124.94 63.99 Favored Pre-proline 0 N--CA 1.496 1.867 0 O-C-N 121.139 -0.976 . . . . 0.0 108.856 -179.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.663 ' HA ' HG22 ' A' ' 112' ' ' THR . 50.6 Cg_exo -47.92 142.48 15.06 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 C-N-CA 121.838 1.692 . . . . 0.0 113.75 -178.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.2 mt -68.83 -32.53 72.29 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.245 -0.909 . . . . 0.0 109.097 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.4 p -66.0 -17.67 64.83 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.784 -0.573 . . . . 0.0 112.253 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.2 m -111.1 26.28 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.217 0 O-C-N 120.805 -1.184 . . . . 0.0 110.687 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.588 HD13 HH12 ' A' ' 51' ' ' ARG . 68.5 mt -95.27 127.81 41.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.959 -1.088 . . . . 0.0 108.806 178.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.0 mt -95.8 119.72 44.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.323 -0.861 . . . . 0.0 110.392 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.588 HH12 HD13 ' A' ' 49' ' ' LEU . 76.6 mtt85 -134.62 95.28 16.06 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.795 -0.565 . . . . 0.0 109.739 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -97.2 28.11 0.19 Allowed 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.965 2.443 . . . . 0.0 111.385 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 tt -141.69 97.85 6.53 Favored Pre-proline 0 N--CA 1.495 1.782 0 O-C-N 121.402 -0.811 . . . . 0.0 109.35 -178.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.52 163.43 36.08 Favored 'Trans proline' 0 N--CA 1.491 1.35 0 C-N-CA 121.405 1.403 . . . . 0.0 111.641 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 m -151.38 167.49 27.77 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.111 -0.993 . . . . 0.0 110.001 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 56' ' ' VAL . 3.5 p -89.42 110.18 21.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 178.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.8 mt -87.34 146.63 25.83 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.998 -1.064 . . . . 0.0 110.653 -178.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -95.6 132.64 27.05 Favored Pre-proline 0 C--N 1.296 -1.724 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.086 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -75.16 -19.98 16.99 Favored 'Trans proline' 0 N--CA 1.497 1.731 0 C-N-CA 121.97 1.78 . . . . 0.0 112.983 -178.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.541 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -84.16 -45.27 13.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.072 -1.017 . . . . 0.0 110.043 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.438 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 9.5 ttmt -66.78 -31.87 72.78 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.203 -0.936 . . . . 0.0 109.81 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.15 -36.03 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.858 -1.151 . . . . 0.0 108.545 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -62.87 -45.19 93.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.373 -0.829 . . . . 0.0 109.13 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 1.342 ' OG ' ' N6 ' ' A' ' 1' ' ' ATP . 9.2 t -56.36 -39.44 72.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.332 -0.855 . . . . 0.0 109.303 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.8 mt -72.93 -50.43 23.61 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.232 -0.917 . . . . 0.0 108.561 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.0 t -55.98 -32.28 32.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -76.18 -38.61 56.38 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.449 -0.782 . . . . 0.0 110.003 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.936 ' OG1' ' N7 ' ' A' ' 1' ' ' ATP . 7.2 m -64.99 -51.75 59.95 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.046 -1.034 . . . . 0.0 109.427 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.633 ' CG2' HH12 ' A' ' 110' ' ' ARG . 13.8 mt -56.5 -41.37 72.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.293 -0.879 . . . . 0.0 108.771 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.406 ' NE ' ' CD2' ' A' ' 108' ' ' LEU . 70.0 mtt180 -77.4 -27.09 52.28 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.293 -0.879 . . . . 0.0 110.372 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -89.81 -37.09 14.73 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.745 -1.222 . . . . 0.0 109.532 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -161.39 99.83 1.24 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.237 -0.914 . . . . 0.0 109.327 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.85 -4.96 16.19 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.522 1.481 . . . . 0.0 113.166 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -89.01 -26.1 21.64 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.868 -1.145 . . . . 0.0 110.82 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.6 t -88.52 25.33 1.72 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.792 -1.193 . . . . 0.0 109.575 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.9 t -118.31 110.74 39.01 Favored Pre-proline 0 N--CA 1.499 2.003 0 O-C-N 121.333 -0.854 . . . . 0.0 108.742 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.71 162.17 30.13 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 121.671 1.581 . . . . 0.0 112.945 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -79.14 172.56 14.61 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 122.873 2.382 . . . . 0.0 112.198 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.3 pt -111.44 165.39 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 80' ' ' ASP . 1.1 p-10 -87.26 136.26 33.0 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.247 -0.908 . . . . 0.0 109.166 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.1 t -138.31 141.92 36.6 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.287 -0.883 . . . . 0.0 109.492 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.0 mt -90.27 131.75 35.91 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.388 -0.82 . . . . 0.0 109.868 -179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -107.59 112.78 25.68 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.3 mt -130.43 144.03 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.211 -0.931 . . . . 0.0 109.615 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.523 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 37.1 mttp -109.71 156.38 20.34 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-O 121.781 0.8 . . . . 0.0 110.257 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.1 -174.57 39.24 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.39 -7.29 23.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.737 -0.861 . . . . 0.0 110.835 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -125.87 24.67 7.01 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.08 -1.012 . . . . 0.0 110.699 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.12 -13.55 38.01 Favored Glycine 0 N--CA 1.496 2.65 0 O-C-N 121.011 -1.055 . . . . 0.0 111.16 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.53 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -48.85 109.09 0.49 Allowed Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.523 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 14.2 m-20 -77.67 135.33 38.07 Favored 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.449 -1.03 . . . . 0.0 109.175 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.53 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 97.0 m-85 -129.97 122.76 29.12 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -98.98 118.02 34.81 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.254 -0.903 . . . . 0.0 110.09 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -106.6 134.35 49.88 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.46 134.75 52.97 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.477 -0.764 . . . . 0.0 109.215 178.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -135.08 91.0 2.69 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 131.95 -167.04 22.96 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 108.523 -1.831 . . . . 0.0 108.523 -179.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 1.119 ' N ' ' O1G' ' A' ' 1' ' ' ATP . . . 46.3 15.1 0.12 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 97' ' ' GLY . 7.1 m -49.44 -52.54 28.23 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.096 -1.237 . . . . 0.0 109.445 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.573 ' N ' ' O2G' ' A' ' 1' ' ' ATP . 34.7 m80 -55.01 -30.63 59.92 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.219 -0.925 . . . . 0.0 109.054 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -29.04 66.38 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.175 -0.953 . . . . 0.0 109.561 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.32 -45.49 62.88 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.134 -0.979 . . . . 0.0 109.454 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.06 -41.31 83.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.14 -0.975 . . . . 0.0 109.822 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.07 -48.94 76.49 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.138 -0.976 . . . . 0.0 109.675 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -66.12 -41.56 90.38 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.214 -0.929 . . . . 0.0 108.835 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.428 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER -62.1 -46.58 88.42 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.31 -0.868 . . . . 0.0 109.341 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -57.96 -40.85 81.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.295 -0.878 . . . . 0.0 109.971 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.406 ' CD2' ' NE ' ' A' ' 70' ' ' ARG . 98.6 mt -74.58 6.74 3.52 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.16 -0.962 . . . . 0.0 109.503 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 47.12 45.65 16.07 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.345 -0.847 . . . . 0.0 110.151 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.633 HH12 ' CG2' ' A' ' 69' ' ' ILE . 21.0 mmt85 -80.71 160.7 24.88 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.985 -1.072 . . . . 0.0 108.583 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 111' ' ' GLU . 21.7 mp0 -81.66 -41.51 21.29 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.313 -0.867 . . . . 0.0 110.407 -179.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.663 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.8 p -135.0 177.22 7.97 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.031 -1.043 . . . . 0.0 110.463 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.4 tt -139.41 141.16 27.9 Favored Pre-proline 0 N--CA 1.504 2.233 0 O-C-N 121.739 -0.601 . . . . 0.0 109.833 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.3 130.2 22.03 Favored 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 120.902 1.068 . . . . 0.0 110.792 177.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -149.46 133.85 17.47 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.192 -0.943 . . . . 0.0 109.292 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -79.5 117.59 20.59 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.301 -0.874 . . . . 0.0 109.001 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 49.4 mt -77.89 136.13 38.0 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.23 -0.919 . . . . 0.0 108.561 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.2 t -133.29 108.72 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.536 -0.727 . . . . 0.0 109.203 -179.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.653 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 14.8 mp0 -46.15 134.01 8.78 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.287 -0.883 . . . . 0.0 109.106 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.8 m -141.7 179.52 6.79 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.166 -0.959 . . . . 0.0 109.309 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.0 p -131.83 160.9 34.29 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.532 -0.73 . . . . 0.0 109.385 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.3 tp -54.54 -25.45 25.97 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.181 -0.949 . . . . 0.0 109.684 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 57.7 m -62.97 -48.22 79.8 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.95 -1.094 . . . . 0.0 109.535 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -55.17 -41.65 72.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.157 -0.964 . . . . 0.0 108.82 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.5 tp -61.82 -38.29 87.62 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.085 -1.01 . . . . 0.0 109.134 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.1 ttm105 -57.86 -37.07 73.26 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.07 -1.019 . . . . 0.0 109.175 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 77.6 t -57.65 -34.91 48.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.148 -0.97 . . . . 0.0 108.44 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -90.49 -48.32 7.17 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.337 -0.852 . . . . 0.0 110.922 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.551 ' O ' ' N ' ' A' ' 131' ' ' ALA . 75.6 mt -115.12 43.61 1.97 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.435 -0.79 . . . . 0.0 110.302 -178.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.85 38.95 0.1 Allowed Glycine 0 N--CA 1.489 2.214 0 C-N-CA 119.913 -1.137 . . . . 0.0 110.334 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.87 -59.53 0.14 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.781 -1.423 . . . . 0.0 109.564 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.9 t -97.64 37.48 1.38 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.04 -1.038 . . . . 0.0 109.232 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.71 117.93 67.2 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.292 -0.88 . . . . 0.0 110.044 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -81.48 -174.38 2.16 Favored 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 122.018 1.812 . . . . 0.0 111.375 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.465 ' CG ' ' NE2' ' A' ' 137' ' ' GLN . 45.0 t0 -105.67 129.51 53.88 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.733 0.778 . . . . 0.0 109.003 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.529 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 93.8 mt -89.81 137.27 32.48 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-O 121.512 0.672 . . . . 0.0 110.399 -179.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 136' ' ' LEU . 59.1 mm-40 . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 117.891 -1.052 . . . . 0.0 109.036 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ATP . . . . . 1.342 ' N6 ' ' OG ' ' A' ' 64' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -170.02 153.23 4.65 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.252 -1.146 . . . . 0.0 109.138 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -36.66 -53.22 1.14 Allowed 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 122.459 2.106 . . . . 0.0 112.411 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.17 4.85 0.08 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.239 -0.913 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 160.25 169.65 23.82 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.38 -95.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.802 2.334 . . . . 0.0 111.934 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 158.86 -65.89 0.29 Allowed Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -41.72 139.22 2.24 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.762 2.308 . . . . 0.0 112.359 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.7 t -169.82 12.74 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.255 -0.903 . . . . 0.0 109.474 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.6 -43.62 0.05 OUTLIER Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.24 56.54 2.8 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.25 -46.15 65.01 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.319 -1.106 . . . . 0.0 109.449 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.519 ' NE2' ' O ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -76.06 144.78 40.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.221 -0.924 . . . . 0.0 109.365 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.519 ' O ' ' NE2' ' A' ' 29' ' ' GLN . . . -59.91 -110.98 0.01 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 165.66 -80.54 0.11 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.3 p -79.25 118.25 21.01 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.231 -1.158 . . . . 0.0 109.475 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.8 mm -79.21 160.94 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.312 -0.867 . . . . 0.0 109.426 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -58.42 123.37 15.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.262 -0.899 . . . . 0.0 109.429 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 37' ' ' ARG . 59.4 m -79.88 43.67 0.61 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.258 -0.901 . . . . 0.0 109.465 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.09 63.33 0.74 Allowed Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 35' ' ' SER . 29.3 ttm180 -170.04 158.55 7.12 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.321 -1.105 . . . . 0.0 109.394 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.1 mt -143.59 98.01 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.267 -0.896 . . . . 0.0 109.045 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.47 113.87 24.27 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.02 -174.13 4.77 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.283 -0.886 . . . . 0.0 109.777 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.458 ' O ' ' CD2' ' A' ' 42' ' ' HIS . 84.2 t -74.96 144.36 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.458 ' CD2' ' O ' ' A' ' 41' ' ' VAL . 10.1 m-70 -149.66 142.39 24.61 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.291 -0.88 . . . . 0.0 109.733 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -82.64 95.32 7.77 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 178.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.447 ' O ' HG13 ' A' ' 44' ' ' VAL . 4.3 p -87.81 123.8 68.45 Favored Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 121.169 -0.957 . . . . 0.0 109.256 -179.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.642 ' HA ' HG22 ' A' ' 112' ' ' THR . 77.5 Cg_exo -47.46 140.07 16.44 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 121.856 1.704 . . . . 0.0 113.345 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.7 mt -66.8 -30.47 70.68 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.443 -0.785 . . . . 0.0 109.321 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.6 p -62.92 -27.35 69.31 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.813 -0.555 . . . . 0.0 112.107 -177.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.3 m -103.57 26.27 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.228 0 O-C-N 120.788 -1.195 . . . . 0.0 111.351 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.0 mt -90.3 138.32 31.63 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.707 -1.246 . . . . 0.0 108.838 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.4 mt -109.5 113.13 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.599 -0.688 . . . . 0.0 109.394 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.9 mtp-105 -134.62 96.63 14.9 Favored Pre-proline 0 N--CA 1.498 1.941 0 O-C-N 121.547 -0.721 . . . . 0.0 109.775 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -96.04 28.06 0.23 Allowed 'Trans proline' 0 C--N 1.314 -1.268 0 C-N-CA 122.911 2.407 . . . . 0.0 111.618 178.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.9 tt -141.34 93.68 7.87 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.303 -0.873 . . . . 0.0 109.426 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -75.22 164.12 33.56 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 121.66 1.574 . . . . 0.0 111.845 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 m -149.07 168.91 21.89 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.147 -0.971 . . . . 0.0 109.878 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.8 t -87.67 108.89 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.596 HD21 ' SG ' ' A' ' 99' ' ' CYS . 77.7 mt -88.38 146.77 25.08 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 122.056 0.931 . . . . 0.0 110.759 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 60' ' ' ALA . 0.6 OUTLIER -95.38 130.36 32.42 Favored Pre-proline 0 C--N 1.298 -1.646 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 178.867 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -75.69 -19.1 16.75 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.792 1.661 . . . . 0.0 112.952 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.521 ' N ' ' OD1' ' A' ' 58' ' ' ASP . . . -83.1 -42.39 17.45 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.052 -1.03 . . . . 0.0 110.091 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -31.76 68.55 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.133 -0.979 . . . . 0.0 109.622 -179.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.4 t -70.97 -50.94 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.021 -1.049 . . . . 0.0 109.034 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.571 HE22 ' CG ' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -49.78 -42.27 46.29 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.401 ' HA ' HE21 ' A' ' 63' ' ' GLN . 31.1 t -60.5 -45.74 92.68 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.326 -0.858 . . . . 0.0 109.412 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.8 mt -63.79 -42.95 97.62 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.19 -0.944 . . . . 0.0 108.734 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.4 t -55.25 -33.29 30.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.571 ' CG ' HE22 ' A' ' 63' ' ' GLN . 0.7 OUTLIER -76.27 -33.91 59.12 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.38 -0.825 . . . . 0.0 109.401 179.504 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.9 m -67.27 -50.97 58.39 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.12 -0.987 . . . . 0.0 109.231 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.8 mt -58.02 -41.33 80.12 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.426 -0.796 . . . . 0.0 109.261 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -77.34 -32.23 55.01 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.244 -0.91 . . . . 0.0 110.319 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -86.4 -34.48 20.16 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.909 -1.119 . . . . 0.0 110.209 -178.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -154.66 85.88 3.62 Favored Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.141 -0.975 . . . . 0.0 109.766 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -62.11 -20.63 70.44 Favored 'Trans proline' 0 N--CA 1.497 1.724 0 C-N-CA 121.728 1.619 . . . . 0.0 113.191 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -85.78 -26.8 25.58 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.774 -1.204 . . . . 0.0 110.528 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.2 m -77.81 16.91 0.62 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.871 -1.143 . . . . 0.0 109.636 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 t -119.52 113.42 34.98 Favored Pre-proline 0 N--CA 1.5 2.045 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -76.46 162.21 33.62 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 121.672 1.581 . . . . 0.0 113.097 -178.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -77.65 172.13 16.29 Favored 'Trans proline' 0 N--CA 1.495 1.562 0 C-N-CA 122.878 2.385 . . . . 0.0 112.106 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.433 HG22 ' NH2' ' A' ' 101' ' ' ARG . 7.2 pt -110.0 167.67 4.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -91.4 135.27 33.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.169 -0.957 . . . . 0.0 109.036 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.9 t -138.06 138.32 43.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.371 -0.831 . . . . 0.0 109.401 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.3 mt -86.29 142.01 28.83 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.422 -0.799 . . . . 0.0 109.94 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.451 ' NE1' ' OD1' ' A' ' 91' ' ' ASP . 11.3 t90 -117.74 113.12 21.37 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.1 mt -131.81 145.11 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.309 -0.87 . . . . 0.0 110.031 -178.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.507 ' NZ ' ' OD1' ' A' ' 91' ' ' ASP . 38.5 mttp -108.42 156.76 19.08 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.564 0.697 . . . . 0.0 109.567 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -99.22 -167.18 30.18 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.03 -7.18 33.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.627 -0.925 . . . . 0.0 110.763 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.418 ' C ' ' H ' ' A' ' 90' ' ' GLY . 38.1 mt-30 -130.2 39.46 3.66 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.054 -1.029 . . . . 0.0 110.672 -179.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.57 -11.92 0.54 Allowed Glycine 0 N--CA 1.494 2.537 0 O-C-N 121.217 -0.927 . . . . 0.0 111.639 178.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.529 ' O ' ' CE2' ' A' ' 92' ' ' TYR . . . -49.37 109.42 0.59 Allowed Glycine 0 N--CA 1.485 1.924 0 O-C-N 120.771 -1.429 . . . . 0.0 109.559 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.507 ' OD1' ' NZ ' ' A' ' 85' ' ' LYS . 7.7 m-20 -78.57 134.36 37.23 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.38 -1.071 . . . . 0.0 108.703 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.529 ' CE2' ' O ' ' A' ' 90' ' ' GLY . 95.1 m-85 -128.61 125.21 37.71 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -100.74 121.32 41.47 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.217 -0.927 . . . . 0.0 110.293 -178.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -108.99 136.58 48.28 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.6 130.36 51.51 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 179.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -130.86 89.89 2.82 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 99' ' ' CYS . . . 136.59 -156.66 23.24 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 107.887 -2.085 . . . . 0.0 107.887 -179.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.518 ' N ' ' O1G' ' A' ' 1' ' ' ATP . . . 46.34 14.39 0.1 OUTLIER Glycine 0 N--CA 1.493 2.477 0 O-C-N 121.005 -1.291 . . . . 0.0 110.074 179.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.596 ' SG ' HD21 ' A' ' 57' ' ' LEU . 4.7 t -50.69 -43.31 57.58 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.142 -1.21 . . . . 0.0 110.055 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.725 ' N ' ' O2G' ' A' ' 1' ' ' ATP . 29.0 m80 -76.03 -53.94 7.6 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.054 -1.029 . . . . 0.0 109.57 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.446 ' NH2' ' O1A' ' A' ' 1' ' ' ATP . 25.0 mtm180 -53.48 -29.79 37.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.918 -1.114 . . . . 0.0 108.801 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -67.2 -42.36 84.26 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.23 91.6 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.308 -0.87 . . . . 0.0 109.699 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.0 93.88 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.181 -0.949 . . . . 0.0 109.379 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -68.78 -42.41 77.45 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.227 -0.921 . . . . 0.0 108.933 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.441 ' OE1' ' O ' ' A' ' 106' ' ' GLN . 0.8 OUTLIER -61.74 -45.82 92.28 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.249 -0.907 . . . . 0.0 109.452 -179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.407 ' C ' ' H ' ' A' ' 109' ' ' GLN . 36.0 tt0 -60.99 -43.29 99.05 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.351 -0.843 . . . . 0.0 110.112 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.4 mt -70.28 6.19 1.43 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.05 -1.031 . . . . 0.0 109.718 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.407 ' H ' ' C ' ' A' ' 107' ' ' GLN . 5.9 tt0 45.09 37.38 2.5 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.378 -0.826 . . . . 0.0 110.286 179.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -70.17 161.37 30.35 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.006 -1.059 . . . . 0.0 108.54 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.416 ' CD ' ' N ' ' A' ' 111' ' ' GLU . 16.6 mp0 -80.07 -40.01 28.55 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.394 -0.816 . . . . 0.0 110.775 -178.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.642 HG22 ' HA ' ' A' ' 45' ' ' PRO . 35.7 p -134.38 177.4 7.79 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.066 -1.021 . . . . 0.0 110.656 -178.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 19.5 tt -138.61 141.35 30.68 Favored Pre-proline 0 N--CA 1.502 2.136 0 O-C-N 121.71 -0.619 . . . . 0.0 109.76 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -69.1 132.11 23.67 Favored 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 120.968 1.112 . . . . 0.0 110.708 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -153.29 132.83 12.96 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.194 -0.942 . . . . 0.0 109.662 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -77.64 121.87 24.55 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.388 -0.82 . . . . 0.0 109.186 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 40.3 mt -84.95 134.58 34.24 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.179 -0.951 . . . . 0.0 109.219 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.7 t -134.76 116.01 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.618 ' NE2' ' H ' ' A' ' 119' ' ' GLN . 4.0 mp0 -53.43 139.32 31.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.128 -0.982 . . . . 0.0 109.093 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.6 m -142.5 -179.05 6.06 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.203 -0.936 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.5 p -129.43 160.77 32.09 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.53 -0.731 . . . . 0.0 109.378 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 28.9 tp -55.13 -34.53 63.81 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.056 -1.028 . . . . 0.0 109.665 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 68.0 m -55.73 -45.59 77.93 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.92 -1.112 . . . . 0.0 109.4 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.38 -46.44 76.52 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.035 -1.041 . . . . 0.0 108.445 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.7 tp -60.11 -37.94 81.51 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.06 -1.025 . . . . 0.0 108.918 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 -57.77 -34.68 69.83 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.155 -0.966 . . . . 0.0 109.249 179.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.24 -34.3 56.78 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 O-C-N 121.14 -0.975 . . . . 0.0 108.417 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -90.54 -48.48 7.06 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.309 -0.869 . . . . 0.0 111.001 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 131' ' ' ALA . 74.9 mt -114.82 42.95 2.05 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.38 -0.825 . . . . 0.0 110.389 -177.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.66 39.41 0.1 Allowed Glycine 0 N--CA 1.488 2.147 0 C-N-CA 119.932 -1.128 . . . . 0.0 110.405 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 129' ' ' LEU . . . -152.68 -58.41 0.14 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.78 -1.423 . . . . 0.0 109.549 179.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.4 t -99.22 35.85 1.84 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.105 -0.997 . . . . 0.0 109.293 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.46 119.45 75.93 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.311 -0.868 . . . . 0.0 109.866 -179.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.87 -174.29 2.21 Favored 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.934 1.756 . . . . 0.0 111.514 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.546 ' C ' HE21 ' A' ' 137' ' ' GLN . 43.7 t0 -106.79 119.67 39.95 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.53 ' O ' ' NE2' ' A' ' 137' ' ' GLN . 94.1 mt -80.41 137.72 36.55 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.458 -0.776 . . . . 0.0 110.374 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.546 HE21 ' C ' ' A' ' 135' ' ' ASP . 58.9 mm-40 . . . . . 0 N--CA 1.497 1.875 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.327 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ATP . . . . . 0.725 ' O2G' ' N ' ' A' ' 100' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_