data_2l1g_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 2l1g _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.512 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -177.34 165.37 2.23 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.516 0.51 . . . . 10.0 110.335 178.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 8.0 m -78.89 174.68 11.26 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-O 122.903 1.335 . . . . 10.0 107.723 -176.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.488 ' O ' HG11 ' A' ' 40' ' ' VAL . 6.7 t -80.08 -0.62 36.45 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 111.419 -2.628 . . . . 10.0 110.938 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.8 -150.07 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 122.01 0.909 . . . . 10.0 113.14 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -114.25 68.55 0.69 Allowed 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 108.49 -0.93 . . . . 10.0 108.49 -178.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.41 34.48 7.98 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.566 -0.826 . . . . 10.0 114.532 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.491 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 9.1 t -86.31 76.1 9.73 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.512 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 4.0 mmtp -74.91 61.75 1.06 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 176.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -93.22 24.92 3.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 118.952 -0.546 . . . . 10.0 111.696 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -24.98 136.6 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 O-C-N 124.561 1.163 . . . . 10.0 111.724 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -36.77 107.01 0.05 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 122.132 0.967 . . . . 10.0 112.686 -176.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.501 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 8.6 t0 -131.75 108.02 9.17 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 105.571 -2.011 . . . . 10.0 105.571 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -18.88 47.44 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.408 -1.269 . . . . 10.0 111.403 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.501 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -73.64 -24.55 60.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.147 -0.933 . . . . 10.0 109.383 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.479 ' HZ2' ' HB3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -102.59 133.41 20.5 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 114.587 -1.188 . . . . 10.0 108.695 179.705 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.81 75.84 4.59 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 121.463 1.442 . . . . 10.0 115.561 -177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 m -143.06 144.2 24.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 121.349 0.595 . . . . 10.0 111.912 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.55 169.7 8.31 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.01 -0.996 . . . . 10.0 108.89 178.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -118.43 102.38 8.88 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 118.163 2.653 . . . . 10.0 118.163 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.77 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.85 159.81 16.23 Favored 'General case' 0 C--O 1.195 -1.8 0 N-CA-C 115.18 1.548 . . . . 10.0 115.18 -171.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 14.3 mtpt -95.23 165.75 12.24 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.022 -1.071 . . . . 10.0 110.956 177.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.714 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.17 157.47 16.69 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 118.685 0.675 . . . . 10.0 110.625 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.548 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 54.8 Cg_endo -78.43 67.51 8.27 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.638 2.225 . . . . 10.0 107.978 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 mt -48.08 -38.69 18.12 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 112.496 -2.138 . . . . 10.0 115.417 -177.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.7 p -87.42 0.08 56.02 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 109.14 -3.664 . . . . 10.0 113.546 -175.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.492 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.78 61.09 57.4 Favored Pre-proline 0 N--CA 1.448 -0.57 0 N-CA-C 105.782 -1.933 . . . . 10.0 105.782 174.881 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.431 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 8.5 Cg_endo -49.26 -51.27 10.96 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.705 2.937 . . . . 10.0 115.237 -174.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.74 -48.23 63.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.22 0.533 . . . . 10.0 109.597 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.46 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . 1.5 tm? -71.25 -30.66 66.59 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.808 -0.812 . . . . 10.0 108.808 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.714 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 19.7 t -63.91 -37.25 86.72 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.505 -1.295 . . . . 10.0 107.505 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -25.92 65.19 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-N 114.879 -1.055 . . . . 10.0 113.597 -176.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -74.74 -22.63 58.7 Favored 'General case' 0 CA--C 1.494 -1.204 0 C-N-CA 115.995 -2.282 . . . . 10.0 108.434 178.789 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.69 ' O ' HG22 ' A' ' 40' ' ' VAL . 11.8 m0 -57.25 -29.52 63.88 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 105.665 -1.976 . . . . 10.0 105.665 178.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -55.23 -49.33 72.26 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 123.73 1.729 . . . . 10.0 110.067 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -55.66 -35.4 65.94 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 110.401 -3.09 . . . . 10.0 112.29 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.7 -15.8 38.44 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 120.117 -0.633 . . . . 10.0 110.413 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 36' ' ' TRP . 25.7 t -91.88 46.03 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 108.164 -1.05 . . . . 10.0 108.164 174.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.24 13.31 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.095 1.146 . . . . 10.0 114.095 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.481 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -72.66 131.8 42.88 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 122.143 -0.348 . . . . 10.0 110.065 179.494 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -52.69 -54.1 38.27 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.418 0.628 . . . . 10.0 110.208 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.14 67.74 10.29 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 108.314 -0.995 . . . . 10.0 108.314 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.639 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 1.8 t80 -44.85 122.2 3.12 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.272 -0.876 . . . . 10.0 110.75 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.639 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -58.94 -171.1 0.03 OUTLIER Pre-proline 0 CA--C 1.544 0.747 0 CA-C-N 113.975 -1.466 . . . . 10.0 110.731 178.049 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.716 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 94.5 Cg_exo -45.43 176.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 122.55 2.167 . . . . 10.0 112.232 178.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.0 p -83.72 -154.47 0.16 Allowed 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 103.651 -2.722 . . . . 10.0 103.651 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.75 -2.19 57.82 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 112.493 -2.14 . . . . 10.0 113.858 -174.088 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -77.84 -31.58 51.66 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 105.268 -2.123 . . . . 10.0 105.268 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.716 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 8.9 p -63.21 173.58 1.44 Allowed 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 120.78 1.627 . . . . 10.0 109.215 174.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.631 ' C ' HD11 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.35 164.13 12.76 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 114.854 -1.066 . . . . 10.0 110.695 -178.322 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.631 HD11 ' C ' ' A' ' 52' ' ' SER . 3.0 mp -132.21 157.01 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 107.593 -1.262 . . . . 10.0 107.593 -176.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.57 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 15.2 p -106.64 153.88 21.74 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 119.805 1.184 . . . . 10.0 111.868 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.77 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 2.7 p -47.17 -40.04 15.06 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 118.634 2.827 . . . . 10.0 118.634 -173.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.524 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -55.13 -16.02 2.71 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 114.665 1.357 . . . . 10.0 114.665 -176.085 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.488 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 94.3 m-70 -84.96 -16.5 40.74 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 114.586 1.328 . . . . 10.0 114.586 -177.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.584 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -125.4 174.16 8.37 Favored 'General case' 0 CA--C 1.499 -1.006 0 C-N-CA 120.256 -0.578 . . . . 10.0 110.17 -179.007 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.491 ' HB ' ' OD1' ' A' ' 61' ' ' ASP . 0.8 OUTLIER -79.87 139.9 54.05 Favored Pre-proline 0 N--CA 1.424 -1.76 0 N-CA-C 108.723 -0.843 . . . . 10.0 108.723 179.025 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.595 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 6.7 Cg_endo -48.7 -33.17 23.8 Favored 'Trans proline' 0 C--N 1.331 -0.389 0 C-N-CA 123.299 2.666 . . . . 10.0 112.191 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.512 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -58.17 -47.2 84.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.222 -1.354 . . . . 10.0 109.427 177.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.548 ' CB ' ' HG2' ' A' ' 73' ' ' LYS . 2.5 t -93.06 4.62 53.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.18 -1.373 . . . . 10.0 114.419 -175.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.595 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -34.47 -55.66 0.53 Allowed 'General case' 0 C--N 1.317 -0.81 0 O-C-N 124.402 1.064 . . . . 10.0 113.87 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.571 ' HG3' ' OE1' ' A' ' 66' ' ' GLU . 15.7 pttp -175.95 -135.39 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.254 0.464 . . . . 10.0 112.254 -178.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.428 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -59.73 -14.65 15.26 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -178.321 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.571 ' OE1' ' HG3' ' A' ' 64' ' ' LYS . 24.4 mp0 -84.06 5.55 25.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.916 0.389 . . . . 10.0 110.309 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.813 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 1.7 t -68.72 -103.2 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.96 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.463 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.6 OUTLIER -101.74 -67.91 0.84 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.886 0.374 . . . . 10.0 111.921 -179.115 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -106.26 -70.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -144.32 1.54 1.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.405 0.52 . . . . 10.0 112.405 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.813 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -141.95 -164.96 1.9 Allowed 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 118.417 -0.801 . . . . 10.0 109.626 179.819 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.548 ' CD1' ' HB3' ' A' ' 26' ' ' PRO . 3.4 mp -64.54 -174.48 0.13 Allowed 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 122.433 1.111 . . . . 10.0 109.989 -176.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.721 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -88.86 103.87 16.4 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 104.085 -2.561 . . . . 10.0 104.085 171.06 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.492 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -49.28 -5.99 0.02 OUTLIER 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 116.508 2.04 . . . . 10.0 116.508 -177.449 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.8 20.25 18.25 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 121.472 0.653 . . . . 10.0 110.534 175.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -139.88 142.88 36.5 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 123.497 1.618 . . . . 10.0 109.125 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.667 HG23 ' CD1' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -149.31 147.46 23.51 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 110.905 -2.861 . . . . 10.0 108.356 -178.107 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.524 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 1.7 Cg_endo -44.23 120.59 2.62 Favored 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 123.885 3.057 . . . . 10.0 108.355 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.41 -11.38 8.34 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 113.662 -1.608 . . . . 10.0 109.281 177.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.411 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.8 OUTLIER -92.49 6.22 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.018 -176.755 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.488 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.4 m-30 -40.7 -50.08 3.08 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.304 0.854 . . . . 10.0 113.304 -178.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 O-C-N 123.541 0.525 . . . . 10.0 110.124 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 . . . . . 0 N--CA 1.447 -0.602 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.512 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 1.3 t -177.78 166.35 2.1 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.708 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 30.9 m -80.48 177.64 8.86 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 123.356 1.551 . . . . 10.0 108.39 -177.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.604 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 16.9 t -81.82 -3.64 54.47 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 110.873 -2.876 . . . . 10.0 110.582 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.34 -149.74 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.508 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -111.05 68.12 0.66 Allowed 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 -178.184 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.08 34.71 13.97 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.696 -0.684 . . . . 10.0 113.66 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.51 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 2.1 t -82.26 76.71 9.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.467 0.633 . . . . 10.0 112.504 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.512 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 18.0 mmtt -73.14 59.46 0.54 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 176.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -93.57 30.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.383 -0.823 . . . . 10.0 112.097 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -22.66 134.56 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.374 0 O-C-N 124.902 1.376 . . . . 10.0 111.631 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.5 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -42.03 113.57 0.45 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-O 121.763 0.792 . . . . 10.0 110.199 -178.332 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -140.34 107.15 5.38 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 106.096 -1.816 . . . . 10.0 106.096 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -20.3 56.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.64 0.733 . . . . 10.0 111.084 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.9 -22.36 63.23 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.56 -1.2 . . . . 10.0 109.11 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.02 146.16 31.66 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 107.304 -1.369 . . . . 10.0 107.304 177.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -88.35 75.48 1.84 Allowed 'Trans proline' 0 N--CA 1.462 -0.335 0 N-CA-C 115.62 1.354 . . . . 10.0 115.62 -177.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.503 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 2.4 m -147.78 149.09 15.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-O 121.528 0.68 . . . . 10.0 112.027 177.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.08 169.36 8.67 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 108.174 -1.047 . . . . 10.0 108.174 177.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.5 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -117.79 102.08 8.83 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 117.789 2.514 . . . . 10.0 117.789 -176.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.714 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -106.83 161.15 14.95 Favored 'General case' 0 C--O 1.195 -1.794 0 N-CA-C 115.069 1.507 . . . . 10.0 115.069 -171.11 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 34.2 mtpt -95.91 165.28 12.35 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 119.252 -0.979 . . . . 10.0 111.933 178.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.694 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -57.4 158.9 9.74 Favored Pre-proline 0 N--CA 1.47 0.563 0 CA-C-N 118.522 0.601 . . . . 10.0 111.345 179.569 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.561 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.4 Cg_endo -79.45 67.66 8.53 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.691 2.261 . . . . 10.0 108.617 177.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -49.53 -38.31 30.21 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 112.623 -2.081 . . . . 10.0 115.361 -177.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.2 p -88.63 1.71 54.53 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 109.594 -3.457 . . . . 10.0 113.107 -175.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.486 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.28 59.22 43.92 Favored Pre-proline 0 N--CA 1.445 -0.724 0 N-CA-C 106.156 -1.794 . . . . 10.0 106.156 175.202 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.571 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.6 Cg_endo -47.68 -55.45 3.96 Favored 'Trans proline' 0 C--O 1.216 -0.584 0 C-N-CA 123.854 3.036 . . . . 10.0 115.974 -174.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.8 OUTLIER -53.09 -44.19 67.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.478 0.656 . . . . 10.0 109.776 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.453 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.5 tm? -69.9 -33.28 71.99 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.185 -1.043 . . . . 10.0 108.185 179.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.694 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 51.4 t -63.54 -37.03 85.75 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 107.78 -1.193 . . . . 10.0 107.78 179.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -67.39 -26.82 66.63 Favored 'General case' 0 N--CA 1.424 -1.738 0 CA-C-N 114.956 -1.02 . . . . 10.0 113.518 -176.817 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.538 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -73.88 -23.18 59.55 Favored 'General case' 0 CA--C 1.492 -1.258 0 C-N-CA 116.154 -2.218 . . . . 10.0 108.731 178.899 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.665 ' O ' HG22 ' A' ' 40' ' ' VAL . 11.7 m0 -57.78 -29.5 64.9 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 105.99 -1.856 . . . . 10.0 105.99 178.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -55.28 -49.42 72.14 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 123.812 1.768 . . . . 10.0 109.62 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.538 ' HB1' ' O ' ' A' ' 35' ' ' GLU . . . -54.04 -35.85 62.42 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 110.716 -2.947 . . . . 10.0 112.393 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.65 -16.27 34.89 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.839 -0.745 . . . . 10.0 110.172 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 36' ' ' TRP . 21.4 t -92.43 37.72 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 108.211 -1.033 . . . . 10.0 108.211 174.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.92 12.43 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.873 1.435 . . . . 10.0 114.873 -176.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.446 ' HD3' ' CE1' ' A' ' 8' ' ' TYR . 10.7 tpt180 -71.94 141.06 49.46 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -52.28 -57.25 10.3 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.209 0.528 . . . . 10.0 110.038 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.34 69.07 7.89 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 108.69 -0.855 . . . . 10.0 108.69 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.634 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 5.7 t80 -44.03 126.31 4.84 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.18 -0.918 . . . . 10.0 110.23 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.634 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -62.37 -172.71 0.05 OUTLIER Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 114.648 -1.16 . . . . 10.0 111.472 179.577 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.746 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 86.8 Cg_exo -46.41 176.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 122.453 2.102 . . . . 10.0 112.299 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.7 p -83.85 -154.2 0.15 Allowed 'General case' 0 CA--C 1.503 -0.846 0 N-CA-C 102.939 -2.986 . . . . 10.0 102.939 172.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -91.52 -3.71 56.24 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 112.357 -2.202 . . . . 10.0 114.129 -174.042 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -77.53 -30.84 53.01 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 105.443 -2.058 . . . . 10.0 105.443 174.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.746 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 8.0 p -64.01 173.31 1.93 Allowed 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 120.441 1.473 . . . . 10.0 109.183 174.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.591 ' C ' HD11 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -111.17 161.52 15.87 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.208 -1.36 . . . . 10.0 110.254 -178.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.591 HD11 ' C ' ' A' ' 52' ' ' SER . 3.2 mp -131.25 158.02 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 N-CA-C 107.43 -1.322 . . . . 10.0 107.43 -176.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.59 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.7 p -107.14 158.23 17.25 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 120.277 1.398 . . . . 10.0 111.338 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.714 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -52.27 -37.35 55.2 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 119.078 2.992 . . . . 10.0 119.078 -172.812 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.526 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -53.57 -16.03 1.38 Allowed 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 114.43 1.27 . . . . 10.0 114.43 -176.802 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.537 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 92.0 m-70 -87.45 -16.55 34.5 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 114.893 1.442 . . . . 10.0 114.893 -176.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.541 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -138.01 137.76 38.19 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.673 0.67 . . . . 10.0 111.859 -177.636 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 p -43.86 138.33 3.21 Favored Pre-proline 0 N--CA 1.432 -1.366 0 CA-C-N 114.207 -1.361 . . . . 10.0 111.055 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.524 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 8.7 Cg_endo -49.49 -29.13 17.71 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.161 2.574 . . . . 10.0 112.509 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.441 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 9.0 m-20 -61.41 -48.56 80.64 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 113.717 -1.583 . . . . 10.0 107.503 175.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.581 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -91.51 6.68 44.65 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 113.786 1.032 . . . . 10.0 113.786 -174.671 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.524 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -39.15 -57.85 1.25 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 114.223 1.194 . . . . 10.0 114.223 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 67' ' ' SER . 13.9 pttt -175.86 -140.51 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 117.881 0.309 . . . . 10.0 111.534 -177.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.27 -12.08 12.06 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.354 0.501 . . . . 10.0 112.354 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.98 6.27 25.8 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.6 -0.519 . . . . 10.0 109.6 178.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.742 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 1.4 t -70.7 -108.35 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.176 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.478 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -102.65 -63.36 1.17 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -178.791 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -102.51 -73.67 0.65 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -178.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -147.25 1.39 0.73 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.746 0.308 . . . . 10.0 111.478 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.742 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -143.95 -164.43 1.88 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 118.568 -0.729 . . . . 10.0 109.131 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.581 HD21 ' O ' ' A' ' 62' ' ' SER . 3.1 mp -64.07 -172.56 0.07 Allowed 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 122.748 1.261 . . . . 10.0 110.045 -176.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.608 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 3.1 mmmm -88.57 105.25 17.52 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 103.703 -2.703 . . . . 10.0 103.703 170.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.486 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 11.2 pm0 -50.39 -5.17 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 115.747 1.758 . . . . 10.0 115.747 -178.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -110.28 16.93 21.39 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.819 175.765 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.529 ' HB3' ' OG ' ' A' ' 62' ' ' SER . . . -141.33 143.26 33.93 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 123.747 1.737 . . . . 10.0 110.042 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.14 151.24 44.16 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 110.636 -2.983 . . . . 10.0 108.298 -177.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.537 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 2.0 Cg_endo -46.2 118.86 2.65 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.225 2.617 . . . . 10.0 107.754 176.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.48 -10.34 8.42 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 113.834 -1.53 . . . . 10.0 109.123 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -93.09 6.65 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 115.493 -0.776 . . . . 10.0 111.179 -177.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.436 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.5 m-30 -39.8 -48.92 2.31 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.014 1.116 . . . . 10.0 114.014 -177.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.508 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 N-CA-C 110.282 -0.266 . . . . 10.0 110.282 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 . . . . . 0 N--CA 1.444 -0.756 0 N-CA-C 108.976 -0.75 . . . . 10.0 108.976 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.482 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 2.6 t 179.33 171.4 0.94 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 123.551 0.532 . . . . 10.0 110.654 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.473 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -83.39 168.38 16.64 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 107.594 -1.262 . . . . 10.0 107.594 -176.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.619 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 9.2 t -74.16 -0.32 16.34 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 112.461 -2.154 . . . . 10.0 111.682 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.435 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . . . -59.68 -147.42 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.448 0.907 . . . . 10.0 113.448 178.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.49 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 0.7 OUTLIER -112.43 70.72 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.697 -0.627 . . . . 10.0 109.406 -178.408 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.71 33.96 26.17 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.315 -0.945 . . . . 10.0 114.053 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.539 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 18.9 t -85.0 73.5 10.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.228 0.514 . . . . 10.0 111.75 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.482 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 6.9 mmtp -69.22 60.68 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 177.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -92.95 30.81 1.52 Allowed 'General case' 0 C--N 1.317 -0.805 0 O-C-N 121.352 -0.843 . . . . 10.0 111.536 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -23.58 133.67 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 O-C-N 125.253 1.595 . . . . 10.0 110.804 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -37.59 110.29 0.12 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.985 0.897 . . . . 10.0 111.318 -177.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.598 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 3.1 t0 -134.6 111.67 10.23 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 106.42 -1.696 . . . . 10.0 106.42 178.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -64.12 -16.64 62.25 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.122 -0.944 . . . . 10.0 111.829 -179.404 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.598 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -76.43 -23.78 53.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.248 -0.887 . . . . 10.0 108.677 179.633 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.543 ' HZ2' ' HB3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -100.69 145.45 30.37 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 107.9 -1.148 . . . . 10.0 107.9 178.799 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -90.23 76.23 0.96 Allowed 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 121.717 1.611 . . . . 10.0 116.266 -176.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.41 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 2.7 m -145.87 146.12 19.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-O 121.364 0.602 . . . . 10.0 111.26 178.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 p -104.64 168.6 8.97 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.072 -1.084 . . . . 10.0 108.072 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -120.73 101.46 7.74 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 117.397 2.369 . . . . 10.0 117.397 -176.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.72 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.38 162.67 13.7 Favored 'General case' 0 C--O 1.195 -1.775 0 N-CA-C 114.987 1.477 . . . . 10.0 114.987 -170.193 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -95.05 165.47 12.41 Favored 'General case' 0 C--N 1.311 -1.068 0 C-N-CA 119.419 -0.912 . . . . 10.0 111.727 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.73 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -59.05 158.18 18.52 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 118.666 0.666 . . . . 10.0 110.323 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.563 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 49.3 Cg_endo -79.52 68.33 8.32 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.472 2.115 . . . . 10.0 108.409 177.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.1 mt -49.95 -36.06 26.47 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 112.99 -1.914 . . . . 10.0 115.109 -176.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.0 p -88.76 1.62 54.89 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 109.673 -3.421 . . . . 10.0 113.2 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.51 57.61 32.6 Favored Pre-proline 0 N--CA 1.447 -0.592 0 N-CA-C 106.145 -1.798 . . . . 10.0 106.145 174.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.521 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 4.5 Cg_endo -46.7 -56.1 3.26 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 123.844 3.03 . . . . 10.0 115.627 -175.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -47.37 57.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.279 0.561 . . . . 10.0 109.654 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.456 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.8 tm? -69.92 -33.15 71.78 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.428 -0.953 . . . . 10.0 108.428 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.73 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 49.4 t -63.29 -36.53 83.99 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 107.149 -1.426 . . . . 10.0 107.149 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -68.83 -24.08 64.33 Favored 'General case' 0 N--CA 1.427 -1.6 0 N-CA-C 113.726 1.01 . . . . 10.0 113.726 -176.126 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -75.18 -21.84 58.46 Favored 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 115.888 -2.325 . . . . 10.0 108.317 178.844 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.473 ' O ' HG22 ' A' ' 40' ' ' VAL . 11.4 m0 -59.2 -26.23 64.66 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 106.21 -1.774 . . . . 10.0 106.21 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -55.82 -48.16 75.94 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 123.712 1.72 . . . . 10.0 109.33 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -53.49 -35.24 60.38 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 110.596 -3.002 . . . . 10.0 112.024 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.05 -16.55 31.32 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 119.841 -0.744 . . . . 10.0 110.197 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.52 ' C ' ' H ' ' A' ' 42' ' ' ARG . 24.4 t -92.41 25.59 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 122.338 1.066 . . . . 10.0 108.471 175.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -56.95 13.67 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.748 1.388 . . . . 10.0 114.748 -177.747 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.52 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -76.59 145.56 38.86 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 122.2 -0.312 . . . . 10.0 110.277 -179.408 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -51.94 -54.79 25.46 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.83 68.15 9.83 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.449 -0.796 . . . . 10.0 109.265 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.647 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 2.5 t80 -49.46 122.83 6.66 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.39 -0.823 . . . . 10.0 108.844 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.647 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -61.86 -172.05 0.05 OUTLIER Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 114.837 -1.074 . . . . 10.0 110.826 179.209 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.72 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 81.0 Cg_exo -47.05 176.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 121.955 1.77 . . . . 10.0 112.054 178.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.7 p -82.19 -153.54 0.11 Allowed 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 103.354 -2.832 . . . . 10.0 103.354 172.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.556 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.0 -3.51 57.95 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 112.027 -2.351 . . . . 10.0 114.052 -173.408 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -78.25 -30.51 48.67 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 105.68 -1.97 . . . . 10.0 105.68 174.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.72 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 10.7 p -62.95 173.0 1.49 Allowed 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 120.675 1.579 . . . . 10.0 109.596 174.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.643 ' C ' HD11 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -109.6 159.43 17.11 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.271 -1.332 . . . . 10.0 109.764 -179.791 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.643 HD11 ' C ' ' A' ' 52' ' ' SER . 2.7 mp -129.78 158.24 42.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 114.219 -1.355 . . . . 10.0 107.722 -175.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.608 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 15.2 p -105.84 157.43 17.47 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 119.988 1.267 . . . . 10.0 111.827 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.72 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 2.1 p -53.36 -41.15 65.56 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 118.85 2.908 . . . . 10.0 118.85 -173.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.557 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -54.14 -14.41 1.1 Allowed 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 114.607 1.336 . . . . 10.0 114.607 -176.282 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.482 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 82.7 m-70 -85.43 -17.05 37.74 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 114.643 1.349 . . . . 10.0 114.643 -177.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.594 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -125.18 174.69 7.91 Favored 'General case' 0 CA--C 1.502 -0.88 0 CA-C-N 118.412 0.551 . . . . 10.0 109.974 -178.441 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.11 140.1 42.59 Favored Pre-proline 0 N--CA 1.432 -1.325 0 N-CA-C 108.69 -0.855 . . . . 10.0 108.69 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.589 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.1 Cg_endo -49.75 -30.89 24.08 Favored 'Trans proline' 0 C--N 1.33 -0.433 0 C-N-CA 123.359 2.706 . . . . 10.0 113.015 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.05 -46.23 88.77 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.321 -1.308 . . . . 10.0 109.099 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.428 ' OG ' ' HB2' ' A' ' 73' ' ' LYS . 1.9 t -94.4 3.73 54.8 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 113.967 -1.469 . . . . 10.0 114.055 -175.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.589 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -36.81 -55.03 0.91 Allowed 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 -178.817 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -173.66 -145.3 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.617 0.644 . . . . 10.0 112.539 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -54.72 -19.63 6.65 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.434 0.902 . . . . 10.0 113.434 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -80.55 5.53 15.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.016 0.436 . . . . 10.0 110.091 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.816 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.6 t -68.62 -101.66 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.632 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.42 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.5 OUTLIER -101.0 -68.66 0.8 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.872 0.367 . . . . 10.0 111.904 -178.483 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -109.41 -67.75 0.96 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.621 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -144.63 0.35 0.98 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.215 -0.594 . . . . 10.0 112.512 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.816 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -140.53 -164.59 1.75 Allowed 'General case' 0 C--O 1.214 -0.782 0 CA-C-O 118.622 -0.704 . . . . 10.0 110.426 -179.143 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.563 ' CD1' ' HB3' ' A' ' 26' ' ' PRO . 3.8 mp -64.33 -168.79 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 123.779 1.752 . . . . 10.0 110.922 -176.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.633 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -87.87 100.91 13.23 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 103.446 -2.798 . . . . 10.0 103.446 170.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.456 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -51.63 -7.99 0.05 Allowed 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 115.131 1.53 . . . . 10.0 115.131 -178.742 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.36 16.97 21.97 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.602 -0.726 . . . . 10.0 111.047 176.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.434 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -139.51 142.98 37.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 123.837 1.78 . . . . 10.0 109.418 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.48 149.15 43.1 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 110.254 -3.157 . . . . 10.0 108.853 -178.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.508 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 1.2 Cg_endo -46.94 118.99 3.04 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.54 2.827 . . . . 10.0 107.984 177.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.7 t -124.23 -10.95 7.53 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.123 -1.399 . . . . 10.0 109.57 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -91.19 6.26 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.086 -0.961 . . . . 10.0 110.64 -177.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.508 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 2.0 m-30 -39.42 -52.79 2.07 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.046 1.128 . . . . 10.0 114.046 -178.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.49 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 -179.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.576 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 2.7 t -178.14 166.83 1.98 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 123.419 0.449 . . . . 10.0 111.562 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.487 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 2.7 m -80.75 165.29 22.06 Favored 'General case' 0 C--N 1.339 0.121 0 N-CA-C 107.844 -1.169 . . . . 10.0 107.844 -177.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.634 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 8.0 t -74.92 0.06 16.97 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 112.908 -1.951 . . . . 10.0 110.656 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.89 -149.32 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 113.972 1.101 . . . . 10.0 113.972 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.431 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -110.41 68.03 0.66 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.833 -0.622 . . . . 10.0 109.36 -178.236 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.69 33.21 25.28 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.54 -0.838 . . . . 10.0 113.291 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.524 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 14.6 t -88.13 75.98 8.58 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 117.567 0.684 . . . . 10.0 112.246 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.576 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 11.5 mtpt -72.69 63.99 0.63 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.336 -0.986 . . . . 10.0 108.336 176.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -92.07 32.17 1.18 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 119.296 0.953 . . . . 10.0 112.918 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -24.36 137.65 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 O-C-N 124.711 1.257 . . . . 10.0 112.026 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.468 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -43.19 109.42 0.14 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.45 0.643 . . . . 10.0 110.956 -178.18 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.527 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 17.8 t0 -134.49 117.45 16.24 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 105.542 -2.021 . . . . 10.0 105.542 177.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.96 -16.88 61.07 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.366 -0.834 . . . . 10.0 111.505 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.505 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . 96.4 m-20 -74.5 -24.24 58.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.17 -0.923 . . . . 10.0 109.687 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -100.7 140.96 21.78 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 108.335 -0.987 . . . . 10.0 108.335 179.221 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -86.71 75.63 2.63 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 121.463 1.442 . . . . 10.0 114.754 -177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.466 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 1.6 m -146.28 148.21 17.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-O 121.252 0.549 . . . . 10.0 111.213 178.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.4 169.1 8.78 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 108.034 -1.098 . . . . 10.0 108.034 177.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.468 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 1.9 m-85 -117.8 103.75 10.29 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 116.983 2.216 . . . . 10.0 116.983 -177.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.721 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -106.36 159.17 16.34 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 114.796 1.406 . . . . 10.0 114.796 -171.337 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -94.31 163.59 13.37 Favored 'General case' 0 C--N 1.309 -1.161 0 C-N-CA 119.124 -1.03 . . . . 10.0 111.122 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.736 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.5 m-85 -58.05 157.3 16.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 118.642 0.655 . . . . 10.0 111.092 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.662 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 91.7 Cg_endo -77.23 68.45 7.43 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.904 2.403 . . . . 10.0 109.484 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.431 HD22 ' HG3' ' A' ' 49' ' ' LYS . 12.6 mt -50.38 -35.25 27.31 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 112.778 -2.01 . . . . 10.0 115.257 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.0 p -90.31 0.09 57.4 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 109.896 -3.32 . . . . 10.0 113.328 -176.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.475 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -131.45 59.13 43.29 Favored Pre-proline 0 N--CA 1.444 -0.742 0 N-CA-C 106.118 -1.808 . . . . 10.0 106.118 175.404 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.498 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.4 Cg_endo -46.58 -53.14 6.44 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.814 3.009 . . . . 10.0 115.191 -175.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.4 m -52.15 -46.07 65.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.966 0.412 . . . . 10.0 109.939 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.448 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . 1.4 tm? -71.37 -32.64 68.73 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.196 -1.038 . . . . 10.0 108.196 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.736 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 49.9 t -62.96 -37.12 85.83 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.267 -1.382 . . . . 10.0 107.267 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -24.83 64.93 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 113.742 1.016 . . . . 10.0 113.742 -176.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.12 -22.25 55.72 Favored 'General case' 0 CA--C 1.497 -1.081 0 C-N-CA 116.448 -2.101 . . . . 10.0 108.95 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.622 ' O ' HG22 ' A' ' 40' ' ' VAL . 12.2 m0 -58.39 -27.63 64.43 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 105.934 -1.876 . . . . 10.0 105.934 177.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -55.38 -48.12 74.79 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 123.632 1.682 . . . . 10.0 109.657 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.96 -34.72 60.5 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 110.677 -2.965 . . . . 10.0 112.63 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.419 ' O ' ' HD2' ' A' ' 81' ' ' PHE . . . -88.48 -15.99 33.9 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 120.311 -0.556 . . . . 10.0 111.206 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 36' ' ' TRP . 20.0 t -90.28 45.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 107.215 -1.402 . . . . 10.0 107.215 175.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.31 13.11 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.107 -1.406 . . . . 10.0 114.007 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.419 ' H ' ' C ' ' A' ' 40' ' ' VAL . 5.7 tpt180 -78.33 144.31 36.16 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -56.92 -56.38 22.36 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.274 0.559 . . . . 10.0 109.683 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.13 68.33 6.23 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.078 -0.965 . . . . 10.0 108.758 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.64 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 4.5 t80 -46.59 124.45 5.98 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.283 -0.871 . . . . 10.0 109.326 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.64 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -62.63 -172.92 0.06 OUTLIER Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 114.632 -1.167 . . . . 10.0 111.262 179.605 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.755 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 82.7 Cg_exo -46.13 176.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.336 2.024 . . . . 10.0 112.832 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.6 p -82.49 -153.83 0.12 Allowed 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 103.253 -2.869 . . . . 10.0 103.253 172.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.499 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -90.33 -3.55 57.68 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 111.875 -2.42 . . . . 10.0 114.161 -173.756 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -78.16 -30.8 49.34 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 105.29 -2.115 . . . . 10.0 105.29 174.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.755 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 12.8 p -64.39 173.09 2.2 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 117.767 -1.573 . . . . 10.0 109.082 174.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.566 ' C ' HD11 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -110.18 162.84 14.2 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.772 -1.103 . . . . 10.0 110.165 -178.171 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.566 HD11 ' C ' ' A' ' 52' ' ' SER . 3.3 mp -130.77 158.46 43.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 107.805 -1.183 . . . . 10.0 107.805 -176.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.599 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 13.9 p -106.33 156.77 18.17 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 119.927 1.24 . . . . 10.0 111.607 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.721 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.8 p -54.7 -37.12 65.43 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 118.972 2.952 . . . . 10.0 118.972 -172.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.54 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -55.29 -15.34 2.37 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 114.068 1.136 . . . . 10.0 114.068 -176.862 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.556 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 88.4 m-70 -86.25 -16.91 36.16 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 114.532 1.308 . . . . 10.0 114.532 -177.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.538 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -137.27 136.25 37.89 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 118.229 0.468 . . . . 10.0 110.891 -178.666 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.2 p -41.49 136.59 1.85 Allowed Pre-proline 0 N--CA 1.431 -1.39 0 O-C-N 124.795 1.31 . . . . 10.0 111.17 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.583 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.0 Cg_endo -49.49 -29.35 18.28 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.86 2.373 . . . . 10.0 111.887 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.602 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 3.4 m-20 -59.2 -49.71 76.81 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 113.724 -1.58 . . . . 10.0 107.653 174.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.543 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -89.72 6.08 43.08 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 114.219 1.192 . . . . 10.0 114.219 -174.376 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.583 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 1.1 m-30 -39.84 -56.9 1.68 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 114.624 1.342 . . . . 10.0 114.624 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -174.94 -143.61 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.329 0.513 . . . . 10.0 112.168 -177.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.45 -14.34 2.96 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.977 0.732 . . . . 10.0 112.977 -179.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -81.85 6.25 16.28 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.834 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.4 t -72.03 -110.68 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.089 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.467 ' N ' ' OG ' ' A' ' 67' ' ' SER . 1.0 OUTLIER -101.23 -65.38 0.98 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.717 0.636 . . . . 10.0 112.717 -178.411 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -104.25 -70.49 0.77 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.025 0.75 . . . . 10.0 113.025 -177.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -144.71 -6.0 0.71 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.392 -0.523 . . . . 10.0 112.175 -177.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.834 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -140.08 -159.32 0.94 Allowed 'General case' 0 C--O 1.214 -0.813 0 CA-C-O 118.325 -0.845 . . . . 10.0 110.002 -179.059 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.662 ' CD1' ' HB3' ' A' ' 26' ' ' PRO . 1.4 mp -64.63 -171.29 0.06 Allowed 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 122.425 1.107 . . . . 10.0 110.19 -176.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.663 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 4.4 mmmm -87.9 100.21 12.71 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 103.307 -2.849 . . . . 10.0 103.307 170.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.475 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 1.8 pm0 -48.78 -7.06 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 116.722 2.119 . . . . 10.0 116.722 -176.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.26 19.53 20.22 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.368 0.604 . . . . 10.0 110.57 175.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.51 142.6 32.27 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 123.424 1.583 . . . . 10.0 109.508 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.543 HG23 ' CD1' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -145.42 150.69 45.13 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 110.985 -2.825 . . . . 10.0 108.361 -177.831 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.556 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 1.3 Cg_endo -46.74 119.64 3.44 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 123.403 2.735 . . . . 10.0 107.677 177.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 t -124.67 -11.29 7.28 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 113.747 -1.569 . . . . 10.0 109.497 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -91.74 6.9 5.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.8 -176.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.439 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 2.2 m-30 -39.45 -48.39 1.96 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.765 1.024 . . . . 10.0 113.765 -177.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.431 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 N-CA-C 110.216 -0.29 . . . . 10.0 110.216 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 . . . . . 0 C--O 1.235 0.291 0 N-CA-C 107.807 -1.183 . . . . 10.0 107.807 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.498 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 1.6 t 179.73 168.57 1.18 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.421 -1.263 . . . . 10.0 109.113 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.481 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -77.8 170.93 15.75 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 123.414 1.578 . . . . 10.0 107.855 -175.156 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.567 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 1.2 m -78.44 16.28 0.84 Allowed 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 110.679 -2.964 . . . . 10.0 109.435 178.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.472 ' H ' ' C ' ' A' ' 5' ' ' CYS . . . -80.65 -146.39 0.05 Allowed 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 114.611 -1.177 . . . . 10.0 108.941 -177.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.406 ' CE2' ' HD3' ' A' ' 42' ' ' ARG . 2.9 t80 -123.15 80.12 1.74 Allowed 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.437 0.637 . . . . 10.0 109.981 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.13 23.08 50.19 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.364 -0.835 . . . . 10.0 114.413 177.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.544 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 26.5 t -85.74 73.94 10.31 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 111.911 0.337 . . . . 10.0 111.911 -179.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.498 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 17.1 mmtp -72.57 64.09 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.664 -1.236 . . . . 10.0 107.664 176.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.452 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 4.9 m-20 -94.51 29.84 2.16 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 121.939 -0.476 . . . . 10.0 111.544 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -24.2 134.63 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.204 0 O-C-N 125.124 1.515 . . . . 10.0 111.588 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -40.23 109.57 0.12 Allowed 'General case' 0 C--N 1.346 0.422 0 O-C-N 123.809 0.693 . . . . 10.0 111.852 -177.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.448 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 42.7 t0 -134.19 108.85 8.51 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 104.853 -2.277 . . . . 10.0 104.853 177.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -57.28 -15.6 6.53 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 113.999 -1.455 . . . . 10.0 111.631 179.218 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.418 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 8.9 m-20 -72.73 -24.39 60.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.061 -0.972 . . . . 10.0 109.248 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -106.14 149.23 37.9 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 114.946 -1.025 . . . . 10.0 108.251 179.416 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -90.53 75.74 0.89 Allowed 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 121.373 1.382 . . . . 10.0 115.622 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.59 143.53 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 121.76 0.791 . . . . 10.0 111.764 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 p -105.58 166.69 10.27 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 114.886 -1.052 . . . . 10.0 108.619 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -121.03 101.27 7.56 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 117.985 2.587 . . . . 10.0 117.985 -177.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.68 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.72 164.82 11.91 Favored 'General case' 0 C--O 1.195 -1.816 0 N-CA-C 115.196 1.554 . . . . 10.0 115.196 -170.4 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 23.5 mtpt -96.21 165.03 12.42 Favored 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 119.078 -1.049 . . . . 10.0 111.513 177.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.721 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.5 m-85 -58.76 158.17 17.05 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 118.58 0.627 . . . . 10.0 110.698 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.469 ' HD3' ' CH2' ' A' ' 36' ' ' TRP . 41.2 Cg_endo -79.72 68.03 8.42 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.826 2.351 . . . . 10.0 108.719 177.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.492 ' CD2' ' HG3' ' A' ' 49' ' ' LYS . 9.1 mt -49.37 -38.42 28.48 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 112.401 -2.181 . . . . 10.0 115.506 -176.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 p -88.41 2.49 52.57 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 110.07 -3.241 . . . . 10.0 113.029 -175.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.29 59.58 46.41 Favored Pre-proline 0 N--CA 1.448 -0.546 0 N-CA-C 105.528 -2.026 . . . . 10.0 105.528 174.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.47 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 7.5 Cg_endo -47.41 -56.44 3.06 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.991 3.127 . . . . 10.0 116.412 -174.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.75 -44.23 63.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 118.569 0.622 . . . . 10.0 109.773 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -70.39 -33.73 71.74 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.92 -1.037 . . . . 10.0 108.45 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.721 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 24.6 t -63.08 -37.57 87.73 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 106.943 -1.503 . . . . 10.0 106.943 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -26.06 65.44 Favored 'General case' 0 N--CA 1.434 -1.25 0 N-CA-C 113.48 0.919 . . . . 10.0 113.48 -176.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -73.63 -23.14 59.85 Favored 'General case' 0 CA--C 1.498 -1.041 0 C-N-CA 115.789 -2.364 . . . . 10.0 108.582 179.282 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.684 ' O ' HG22 ' A' ' 40' ' ' VAL . 12.1 m0 -57.58 -30.78 65.56 Favored 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 106.267 -1.753 . . . . 10.0 106.267 178.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -54.25 -49.0 70.53 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 123.946 1.832 . . . . 10.0 109.879 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -55.28 -35.83 65.46 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 110.192 -3.186 . . . . 10.0 112.468 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.38 -13.3 49.84 Favored 'General case' 0 C--N 1.312 -1.046 0 C-N-CA 120.422 -0.511 . . . . 10.0 110.976 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 36' ' ' TRP . 12.5 t -91.83 37.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 122.53 1.157 . . . . 10.0 108.015 173.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.3 13.82 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.872 1.804 . . . . 10.0 115.872 -177.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.451 ' H ' ' C ' ' A' ' 40' ' ' VAL . 3.5 tpt180 -97.57 148.47 23.24 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 121.274 -0.891 . . . . 10.0 111.729 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.9 tttm -52.38 -44.58 65.37 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.136 0.493 . . . . 10.0 110.042 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -82.36 64.14 6.88 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.378 -0.828 . . . . 10.0 110.579 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.483 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 15.5 t80 -57.09 118.65 5.23 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.2 -1.037 . . . . 10.0 108.2 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.567 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -60.98 -172.32 0.04 OUTLIER Pre-proline 0 C--O 1.215 -0.735 0 CA-C-N 115.037 -0.983 . . . . 10.0 111.086 179.678 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.756 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 74.7 Cg_exo -44.78 177.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 122.823 2.349 . . . . 10.0 112.705 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.5 p -82.12 -155.12 0.13 Allowed 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 102.649 -3.093 . . . . 10.0 102.649 172.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.556 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.46 0.0 57.48 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 112.627 -2.079 . . . . 10.0 114.107 -173.77 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -79.17 -32.65 44.26 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 105.664 -1.976 . . . . 10.0 105.664 173.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.756 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 14.4 p -61.66 172.58 1.2 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 120.571 1.532 . . . . 10.0 109.391 175.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.647 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -109.55 159.58 16.96 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.377 -1.283 . . . . 10.0 110.223 -178.665 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.647 HD12 ' C ' ' A' ' 52' ' ' SER . 2.8 mp -129.68 158.54 42.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 N-CA-C 107.541 -1.281 . . . . 10.0 107.541 -176.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.578 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 16.9 p -106.5 155.82 19.2 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.957 1.253 . . . . 10.0 112.214 178.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.68 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 13.2 p -49.74 -42.34 45.95 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 118.311 2.708 . . . . 10.0 118.311 -173.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.578 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -56.06 -14.7 2.79 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 114.556 1.317 . . . . 10.0 114.556 -176.025 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.482 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 85.9 m-70 -83.74 -17.18 42.11 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 114.178 1.177 . . . . 10.0 114.178 -177.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.551 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -125.18 174.74 7.87 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 108.986 -0.746 . . . . 10.0 108.986 -179.589 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.19 140.63 49.34 Favored Pre-proline 0 N--CA 1.425 -1.677 0 N-CA-C 107.885 -1.154 . . . . 10.0 107.885 178.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.546 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 8.3 Cg_endo -48.47 -29.93 14.72 Favored 'Trans proline' 0 C--N 1.33 -0.43 0 C-N-CA 123.48 2.786 . . . . 10.0 112.395 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.555 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 1.7 m-20 -57.48 -49.56 75.89 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.939 -1.482 . . . . 10.0 109.305 177.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.54 ' CB ' ' HG2' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -92.77 4.87 52.99 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 114.235 -1.348 . . . . 10.0 113.519 -174.491 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.677 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 0.4 OUTLIER -35.33 -54.6 0.65 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 114.137 1.162 . . . . 10.0 114.137 179.666 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.435 ' HZ1' ' CD ' ' A' ' 66' ' ' GLU . 10.9 pttp -176.71 -138.32 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 118.512 0.596 . . . . 10.0 112.435 -178.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.407 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 3.4 ptm180 -63.25 -14.18 46.44 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.628 0.603 . . . . 10.0 112.628 -177.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.435 ' CD ' ' HZ1' ' A' ' 64' ' ' LYS . 4.4 mp0 -86.38 6.7 28.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.937 0.399 . . . . 10.0 109.957 178.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.795 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.3 t -66.73 -101.86 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.359 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -101.66 -69.55 0.78 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.693 0.282 . . . . 10.0 111.264 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -102.5 -70.74 0.74 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.678 -0.409 . . . . 10.0 111.831 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.98 2.98 0.92 Allowed 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.397 0.517 . . . . 10.0 112.397 -179.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.795 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -144.23 -167.04 2.52 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-O 118.467 -0.778 . . . . 10.0 109.352 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.475 HD21 ' O ' ' A' ' 62' ' ' SER . 3.9 mp -63.78 -173.95 0.09 Allowed 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 122.67 1.224 . . . . 10.0 110.271 -175.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.628 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -88.46 106.03 18.0 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 104.008 -2.59 . . . . 10.0 104.008 170.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -7.09 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 116.316 1.969 . . . . 10.0 116.316 -177.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -108.71 16.05 23.16 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.979 176.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -137.87 143.72 41.04 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 123.589 1.662 . . . . 10.0 109.925 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.422 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -147.11 148.77 33.24 Favored Pre-proline 0 CA--C 1.538 0.518 0 CA-C-N 110.674 -2.966 . . . . 10.0 108.719 -177.499 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.53 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 1.6 Cg_endo -44.96 120.65 3.04 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 123.595 2.863 . . . . 10.0 108.148 177.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t -123.97 -10.27 7.69 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 113.75 -1.568 . . . . 10.0 109.774 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.477 HG22 HD12 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -94.61 6.74 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.642 -176.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.482 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.8 m-30 -40.05 -50.41 2.58 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.731 1.011 . . . . 10.0 113.731 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.605 0.24 . . . . 10.0 110.578 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 . . . . . 0 N--CA 1.447 -0.612 0 CA-C-O 119.511 -0.28 . . . . 10.0 110.4 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.592 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 176.08 171.56 0.39 Allowed 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.37 0.419 . . . . 10.0 111.207 178.536 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.463 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -80.05 163.66 24.02 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 107.096 -1.446 . . . . 10.0 107.096 -177.384 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.561 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 7.5 t -71.93 2.31 5.8 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 113.412 -1.722 . . . . 10.0 111.709 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.84 -150.54 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.885 0.85 . . . . 10.0 112.625 178.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.597 ' CE1' ' HD3' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -114.42 73.65 0.84 Allowed 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 121.239 -0.913 . . . . 10.0 109.381 -178.429 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.52 21.73 53.05 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.537 -0.839 . . . . 10.0 114.485 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.499 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 36.6 t -80.84 75.24 7.78 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 117.636 0.718 . . . . 10.0 112.145 -179.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.592 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 17.5 mttt -72.17 65.33 0.58 Allowed 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.558 -0.904 . . . . 10.0 108.558 176.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -88.27 31.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.129 -0.357 . . . . 10.0 111.459 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -24.9 134.06 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 O-C-N 124.526 1.141 . . . . 10.0 111.706 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.533 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -44.35 111.05 0.26 Allowed 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.962 0.886 . . . . 10.0 111.378 -178.368 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.449 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 51.5 t0 -136.59 109.7 7.75 Favored 'General case' 0 N--CA 1.435 -1.206 0 CA-C-N 113.282 -1.781 . . . . 10.0 106.239 177.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -15.98 38.96 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.703 0.763 . . . . 10.0 111.09 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.449 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -72.86 -24.66 60.9 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 114.707 -1.133 . . . . 10.0 109.248 179.361 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.11 147.38 34.04 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 114.578 -1.192 . . . . 10.0 108.373 178.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -91.46 75.92 0.62 Allowed 'Trans proline' 0 CA--C 1.533 0.461 0 N-CA-C 116.48 1.685 . . . . 10.0 116.48 -177.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 m -143.98 145.89 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.38 0.61 . . . . 10.0 111.409 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 p -105.36 166.63 10.29 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.337 -0.847 . . . . 10.0 108.725 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.533 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -116.42 102.22 9.33 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 117.189 2.292 . . . . 10.0 117.189 -176.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.738 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.29 161.24 14.97 Favored 'General case' 0 C--O 1.2 -1.543 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 -171.063 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -94.81 163.16 13.46 Favored 'General case' 0 C--N 1.312 -1.064 0 C-N-CA 119.356 -0.938 . . . . 10.0 110.972 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.771 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.1 m-85 -58.48 158.1 16.11 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 118.323 0.51 . . . . 10.0 111.162 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.447 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 59.7 Cg_endo -78.21 67.05 8.28 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.057 2.505 . . . . 10.0 108.933 178.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.413 HD22 ' HG3' ' A' ' 49' ' ' LYS . 16.3 mt -49.23 -39.04 28.53 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 112.133 -2.303 . . . . 10.0 115.908 -176.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 p -89.53 2.49 54.53 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 110.242 -3.163 . . . . 10.0 112.937 -175.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.444 ' HD3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -131.63 58.61 39.18 Favored Pre-proline 0 N--CA 1.447 -0.615 0 N-CA-C 105.517 -2.031 . . . . 10.0 105.517 174.341 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -48.5 -50.54 12.08 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.886 3.058 . . . . 10.0 115.729 -174.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -47.6 63.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.444 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . 1.2 tm? -69.76 -34.02 73.21 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.394 -0.965 . . . . 10.0 108.394 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.771 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 8.8 t -62.69 -37.06 84.98 Favored 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 107.742 -1.207 . . . . 10.0 107.742 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.43 ' HZ1' ' HG3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -69.36 -23.91 63.82 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 -176.316 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -75.73 -22.57 56.43 Favored 'General case' 0 CA--C 1.491 -1.319 0 C-N-CA 116.434 -2.106 . . . . 10.0 108.638 179.21 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.477 ' O ' HG22 ' A' ' 40' ' ' VAL . 12.3 m0 -58.83 -26.81 64.51 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 105.265 -2.124 . . . . 10.0 105.265 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -55.23 -48.87 73.28 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-O 123.807 1.765 . . . . 10.0 109.866 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -55.82 -32.44 63.57 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 110.425 -3.08 . . . . 10.0 112.785 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.405 ' O ' ' HD2' ' A' ' 81' ' ' PHE . . . -87.84 -16.97 32.57 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 120.397 -0.521 . . . . 10.0 110.747 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 36' ' ' TRP . 16.2 t -91.85 34.79 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 N-CA-C 107.659 -1.237 . . . . 10.0 107.659 174.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.3 12.6 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.303 1.594 . . . . 10.0 115.303 -176.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.597 ' HD3' ' CE1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -80.09 145.95 32.15 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.888 -0.508 . . . . 10.0 109.798 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.4 tttt -53.69 -54.38 38.69 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.535 0.683 . . . . 10.0 109.797 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.435 ' OD1' ' HG3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -82.82 66.28 8.36 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 115.291 -0.868 . . . . 10.0 108.957 179.176 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.622 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -50.25 120.87 4.88 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.65 -0.87 . . . . 10.0 108.65 178.342 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.622 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -58.63 -172.77 0.04 OUTLIER Pre-proline 0 C--O 1.22 -0.484 0 C-N-CA 124.464 1.105 . . . . 10.0 111.282 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.733 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 94.4 Cg_exo -44.74 175.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.967 1.778 . . . . 10.0 112.383 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.3 p -83.58 -153.35 0.13 Allowed 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 103.598 -2.742 . . . . 10.0 103.598 172.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.51 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -90.08 -2.09 58.05 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 112.387 -2.188 . . . . 10.0 113.647 -174.083 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -78.04 -31.04 50.15 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 105.253 -2.128 . . . . 10.0 105.253 174.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.733 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 14.1 p -64.89 173.31 2.37 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 120.648 1.567 . . . . 10.0 109.39 174.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.686 ' C ' HD13 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -111.91 162.58 15.17 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.226 -0.897 . . . . 10.0 109.971 -178.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.686 HD13 ' C ' ' A' ' 52' ' ' SER . 2.2 mp -131.06 159.1 43.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 C-N-CA 124.725 1.21 . . . . 10.0 108.23 -175.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.543 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 16.1 p -106.44 152.73 23.25 Favored 'General case' 0 CA--C 1.555 1.136 0 CA-C-N 119.439 1.018 . . . . 10.0 112.108 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.738 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 24.7 p -47.97 -42.34 27.4 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 118.689 2.848 . . . . 10.0 118.689 -173.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.543 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -55.95 -14.75 2.7 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 114.287 1.217 . . . . 10.0 114.287 -176.071 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.407 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 74.7 m-70 -84.13 -16.98 41.63 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 114.568 1.322 . . . . 10.0 114.568 -177.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.5 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -126.65 174.16 8.93 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 118.323 0.51 . . . . 10.0 109.707 -179.206 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.63 141.6 60.55 Favored Pre-proline 0 N--CA 1.431 -1.387 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 10.2 Cg_endo -51.24 -32.75 42.09 Favored 'Trans proline' 0 C--N 1.324 -0.727 0 C-N-CA 123.433 2.756 . . . . 10.0 112.921 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -60.94 -43.75 98.21 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 114.553 -1.203 . . . . 10.0 108.722 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.475 ' OG ' ' HB2' ' A' ' 73' ' ' LYS . 1.5 t -93.31 3.17 56.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.815 -1.539 . . . . 10.0 114.085 -174.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.611 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -36.79 -60.11 0.64 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.431 1.271 . . . . 10.0 114.431 -179.227 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -168.97 -142.31 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 118.398 0.544 . . . . 10.0 112.126 -178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -58.12 -14.5 6.95 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.121 0.786 . . . . 10.0 113.121 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -85.06 7.6 20.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.134 0.492 . . . . 10.0 109.727 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.801 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.7 t -70.88 -105.92 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.411 -0.813 . . . . 10.0 111.906 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.451 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -103.1 -69.34 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.381 0.511 . . . . 10.0 112.381 -178.701 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -100.49 -71.94 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.99 -0.55 . . . . 10.0 112.359 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.402 ' HB2' ' HE2' ' A' ' 70' ' ' LYS . 3.4 tppt? -145.72 -2.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.665 -0.414 . . . . 10.0 111.714 -178.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.801 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -140.42 -161.74 1.25 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 -178.709 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.509 ' C ' ' HG ' ' A' ' 67' ' ' SER . 4.2 mp -63.33 -169.0 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 123.691 1.71 . . . . 10.0 110.655 -177.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.666 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -86.2 101.72 13.27 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 103.066 -2.939 . . . . 10.0 103.066 171.773 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.62 -10.89 0.07 Allowed 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 115.16 1.541 . . . . 10.0 115.16 -177.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.23 18.38 21.15 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.903 -1.044 . . . . 10.0 111.096 176.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.41 ' HB1' ' OG ' ' A' ' 62' ' ' SER . . . -141.6 144.86 34.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 123.971 1.843 . . . . 10.0 110.722 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.3 150.96 46.51 Favored Pre-proline 0 N--CA 1.45 -0.472 0 CA-C-N 110.445 -3.071 . . . . 10.0 108.015 -178.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.465 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 1.8 Cg_endo -46.33 121.46 4.62 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.369 2.713 . . . . 10.0 108.099 177.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.12 -12.23 7.44 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.043 -1.435 . . . . 10.0 109.852 177.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.2 mm -89.1 6.68 3.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.181 -176.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 2.6 m-30 -40.0 -50.73 2.56 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.016 1.117 . . . . 10.0 114.016 -177.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.405 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.322 0 CA-C-O 120.785 0.326 . . . . 10.0 110.961 -178.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 . . . . . 0 N--CA 1.444 -0.736 0 N-CA-C 107.632 -1.247 . . . . 10.0 107.632 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.617 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -175.28 158.14 2.32 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.247 -0.888 . . . . 10.0 110.51 178.778 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.518 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 4.1 m -79.37 164.94 23.63 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 106.894 -1.521 . . . . 10.0 106.894 -176.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.551 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 5.4 t -74.77 2.42 10.13 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 113.273 -1.785 . . . . 10.0 111.613 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.92 -147.79 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.69 0.757 . . . . 10.0 112.49 177.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.505 ' CD1' ' HD3' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -112.2 69.28 0.69 Allowed 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.526 -0.916 . . . . 10.0 108.526 -179.303 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.87 34.7 8.79 Favored Glycine 0 N--CA 1.444 -0.804 0 N-CA-C 115.346 0.898 . . . . 10.0 115.346 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.526 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 17.4 t -90.67 77.3 6.37 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 117.75 0.775 . . . . 10.0 113.024 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.617 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 68.6 mttt -75.09 63.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.851 -1.166 . . . . 10.0 107.851 175.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.26 26.35 1.22 Allowed 'General case' 0 C--N 1.318 -0.788 0 O-C-N 121.473 -0.767 . . . . 10.0 111.275 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.454 ' HD3' ' H ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -24.94 129.57 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.94 1.4 . . . . 10.0 110.471 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.454 ' H ' ' HD3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -31.49 108.98 0.05 Allowed 'General case' 0 N--CA 1.471 0.598 0 O-C-N 124.169 0.918 . . . . 10.0 113.379 -176.041 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.403 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 18.6 t70 -137.08 108.7 6.97 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 106.108 -1.812 . . . . 10.0 106.108 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -22.63 66.58 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.12 -0.945 . . . . 10.0 110.432 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -61.76 -27.44 68.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.438 -1.256 . . . . 10.0 108.871 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.403 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -103.91 142.29 24.29 Favored Pre-proline 0 N--CA 1.447 -0.589 0 CA-C-N 114.237 -1.347 . . . . 10.0 107.943 178.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -88.22 77.66 1.51 Allowed 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 121.553 1.502 . . . . 10.0 115.459 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.463 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 1.8 m -144.92 146.92 19.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 121.222 0.534 . . . . 10.0 111.975 177.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.04 168.53 9.07 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.058 -1.09 . . . . 10.0 108.058 176.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.418 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -116.03 102.75 9.92 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 117.478 2.399 . . . . 10.0 117.478 -176.595 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.678 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.18 157.97 17.47 Favored 'General case' 0 C--O 1.196 -1.727 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 -172.229 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 5.5 mtpt -95.91 165.53 12.23 Favored 'General case' 0 C--N 1.311 -1.068 0 C-N-CA 119.083 -1.047 . . . . 10.0 111.839 178.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.779 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.6 m-85 -56.62 156.47 12.0 Favored Pre-proline 0 N--CA 1.47 0.55 0 CA-C-N 118.913 0.778 . . . . 10.0 111.749 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.604 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 63.9 Cg_endo -77.85 67.63 7.94 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.092 2.528 . . . . 10.0 109.12 177.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 mt -50.22 -36.69 31.95 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-O 124.389 2.042 . . . . 10.0 115.236 -176.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.1 p -88.43 1.05 55.53 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 109.554 -3.476 . . . . 10.0 113.093 -175.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.478 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.78 59.19 44.29 Favored Pre-proline 0 N--CA 1.441 -0.877 0 N-CA-C 105.916 -1.883 . . . . 10.0 105.916 175.035 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.461 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.4 Cg_endo -47.15 -55.84 3.56 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.871 3.047 . . . . 10.0 115.933 -174.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m -50.97 -44.93 60.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.418 0.628 . . . . 10.0 109.95 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.443 HD22 ' O ' ' A' ' 76' ' ' ALA . 1.1 tm? -70.01 -35.79 74.62 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.981 -1.009 . . . . 10.0 108.477 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.779 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 35.4 t -62.19 -36.91 83.34 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 106.965 -1.494 . . . . 10.0 106.965 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -26.12 65.49 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 113.826 1.047 . . . . 10.0 113.826 -176.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.565 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -74.71 -22.08 59.03 Favored 'General case' 0 CA--C 1.493 -1.239 0 C-N-CA 115.774 -2.371 . . . . 10.0 109.187 178.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.504 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.7 m0 -58.53 -28.74 65.73 Favored 'General case' 0 N--CA 1.437 -1.111 0 N-CA-C 105.865 -1.902 . . . . 10.0 105.865 178.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -55.18 -47.96 74.48 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 123.628 1.68 . . . . 10.0 110.096 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.95 -34.9 63.68 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 110.643 -2.98 . . . . 10.0 112.38 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.418 ' O ' ' HD2' ' A' ' 81' ' ' PHE . . . -87.33 -16.18 35.82 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 120.382 -0.527 . . . . 10.0 110.055 -179.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.521 ' C ' ' H ' ' A' ' 42' ' ' ARG . 26.2 t -91.93 35.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 107.55 -1.278 . . . . 10.0 107.55 174.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.61 9.56 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 114.488 -1.233 . . . . 10.0 114.148 -178.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.521 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -73.57 135.68 43.94 Favored 'General case' 0 C--N 1.312 -1.056 0 O-C-N 122.15 -0.344 . . . . 10.0 110.359 179.615 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.659 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -51.84 -47.32 64.44 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.568 0.699 . . . . 10.0 109.505 178.685 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.659 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -87.21 66.5 9.28 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 114.911 -1.04 . . . . 10.0 108.704 179.12 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.649 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 1.8 t80 -49.36 120.23 3.94 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.423 -0.808 . . . . 10.0 109.531 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.649 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -61.22 -172.08 0.04 OUTLIER Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 114.634 -1.166 . . . . 10.0 110.242 179.088 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.727 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 85.0 Cg_exo -45.4 175.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.123 1.882 . . . . 10.0 112.407 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.0 p -82.73 -153.65 0.12 Allowed 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 103.435 -2.802 . . . . 10.0 103.435 173.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.08 -4.64 57.24 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 111.552 -2.567 . . . . 10.0 113.765 -173.61 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -77.43 -30.92 53.65 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 105.145 -2.168 . . . . 10.0 105.145 174.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.727 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 15.3 p -64.47 173.59 2.05 Favored 'General case' 0 C--N 1.314 -0.959 0 C-N-CA 117.572 -1.651 . . . . 10.0 109.072 174.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.567 ' C ' HD11 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.67 163.2 13.7 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.52 -1.218 . . . . 10.0 110.209 -178.044 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.567 HD11 ' C ' ' A' ' 52' ' ' SER . 3.4 mp -131.56 157.78 43.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 107.373 -1.343 . . . . 10.0 107.373 -176.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.614 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 14.0 p -107.14 160.3 15.68 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.842 1.201 . . . . 10.0 111.352 178.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.678 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.5 p -56.3 -37.33 69.75 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 118.863 2.912 . . . . 10.0 118.863 -172.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.541 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -55.52 -14.64 2.16 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.132 1.16 . . . . 10.0 114.132 -176.401 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.402 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 92.8 m-70 -86.76 -15.59 38.92 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.745 1.387 . . . . 10.0 114.745 -177.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.522 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -138.58 140.8 39.15 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 118.418 0.554 . . . . 10.0 111.441 -178.878 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -43.5 136.08 3.31 Favored Pre-proline 0 N--CA 1.43 -1.436 0 CA-C-N 114.186 -1.37 . . . . 10.0 110.847 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.707 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 8.3 Cg_endo -49.8 -29.23 19.76 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 122.971 2.447 . . . . 10.0 112.158 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.647 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -61.1 -48.6 80.93 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 113.508 -1.678 . . . . 10.0 107.5 175.118 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.57 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -91.19 6.38 45.32 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 114.06 1.133 . . . . 10.0 114.06 -174.79 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.707 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -38.71 -59.99 0.88 Allowed 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.896 -1.047 . . . . 10.0 113.545 179.787 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -175.49 -135.36 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.374 0.509 . . . . 10.0 112.374 -177.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -58.46 -13.4 5.43 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.385 0.674 . . . . 10.0 112.784 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -83.08 5.06 23.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.702 0.287 . . . . 10.0 110.431 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.863 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.4 t -68.63 -110.36 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.362 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.459 ' N ' ' OG ' ' A' ' 67' ' ' SER . 9.7 t30 -101.4 -69.04 0.79 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.174 0.511 . . . . 10.0 111.495 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -94.63 -74.22 0.55 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.191 0.812 . . . . 10.0 113.191 -177.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HE2' ' HB2' ' A' ' 70' ' ' LYS . 1.7 tppt? -147.99 0.53 0.63 Allowed 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.056 0.391 . . . . 10.0 112.056 -178.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.863 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -139.38 -162.96 1.4 Allowed 'General case' 0 C--O 1.212 -0.888 0 CA-C-O 118.241 -0.885 . . . . 10.0 109.407 -179.557 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.604 ' CD1' ' HB3' ' A' ' 26' ' ' PRO . 3.1 mp -65.29 -172.15 0.09 Allowed 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 122.909 1.338 . . . . 10.0 110.458 -176.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.653 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 2.1 mmmm -89.04 103.11 15.75 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 103.73 -2.692 . . . . 10.0 103.73 170.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.478 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 2.1 pm0 -50.6 -4.57 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 115.915 1.82 . . . . 10.0 115.915 -178.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.426 ' H ' ' C ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -109.09 17.8 21.27 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.576 176.435 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.443 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -143.66 146.65 33.4 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 123.42 1.581 . . . . 10.0 110.639 -178.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.499 HG23 ' CD1' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -148.72 150.32 32.94 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 110.848 -2.887 . . . . 10.0 108.558 -177.514 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.489 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 1.5 Cg_endo -46.35 121.73 4.89 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.622 2.882 . . . . 10.0 107.896 177.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -125.46 -10.99 6.87 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.293 -1.321 . . . . 10.0 109.762 176.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.464 HG22 HD12 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -90.14 5.75 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.126 -176.725 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.418 ' HD2' ' O ' ' A' ' 39' ' ' ALA . 2.6 m-30 -39.35 -51.18 2.07 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.612 0.967 . . . . 10.0 113.612 -177.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.454 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 119.05 -0.5 . . . . 10.0 110.532 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.565 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 174.41 173.78 0.19 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.022 0.439 . . . . 10.0 111.441 179.117 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.554 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -86.17 161.14 18.99 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 107.021 -1.474 . . . . 10.0 107.021 -177.673 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.559 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 10.6 t -69.67 3.28 2.57 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 113.562 -1.654 . . . . 10.0 112.733 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.71 -152.71 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.806 0.812 . . . . 10.0 112.752 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.429 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 1.0 OUTLIER -108.85 71.33 0.77 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 -178.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.74 28.56 38.13 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.523 -0.846 . . . . 10.0 113.083 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.534 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 41.3 t -83.58 74.33 10.13 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 117.92 0.86 . . . . 10.0 111.671 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.565 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 28.1 mmtp -68.75 63.87 0.11 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.934 -1.136 . . . . 10.0 107.934 176.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.53 30.67 0.7 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 118.585 0.629 . . . . 10.0 112.019 -179.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -22.93 134.68 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 O-C-N 125.248 1.592 . . . . 10.0 111.958 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.545 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -48.0 113.01 0.65 Allowed 'General case' 0 C--N 1.347 0.471 0 CA-C-O 122.185 0.993 . . . . 10.0 110.031 -178.595 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -140.57 113.69 8.44 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 105.061 -2.2 . . . . 10.0 105.061 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -17.26 37.56 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.669 0.747 . . . . 10.0 110.79 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.98 -27.65 66.77 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.523 -1.217 . . . . 10.0 109.58 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.68 147.66 33.94 Favored Pre-proline 0 C--N 1.328 -0.361 0 N-CA-C 108.454 -0.943 . . . . 10.0 108.454 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -90.69 75.42 0.85 Allowed 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 121.552 1.502 . . . . 10.0 115.867 -177.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.403 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 1.9 m -146.21 149.83 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 121.261 0.553 . . . . 10.0 112.311 178.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.7 p -108.43 168.52 9.26 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.114 -0.948 . . . . 10.0 108.595 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.545 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -120.03 101.51 7.9 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 117.045 2.239 . . . . 10.0 117.045 -177.772 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.712 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.19 163.0 13.38 Favored 'General case' 0 C--O 1.198 -1.61 0 N-CA-C 115.44 1.644 . . . . 10.0 115.44 -170.664 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -95.69 165.02 12.52 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.383 -0.826 . . . . 10.0 112.587 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.773 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -59.99 157.55 30.44 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 118.806 0.73 . . . . 10.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.658 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 92.4 Cg_endo -75.98 68.7 6.47 Favored 'Trans proline' 0 CA--C 1.514 -0.483 0 C-N-CA 122.68 2.253 . . . . 10.0 109.329 177.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 27' ' ' LEU . 12.4 mt -50.83 -35.18 31.01 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 124.494 2.092 . . . . 10.0 115.113 -177.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 p -89.84 -1.66 58.04 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 109.304 -3.589 . . . . 10.0 113.231 -176.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.06 58.58 39.19 Favored Pre-proline 0 N--CA 1.447 -0.622 0 N-CA-C 106.127 -1.805 . . . . 10.0 106.127 175.566 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.507 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 7.3 Cg_endo -47.87 -53.44 6.6 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.766 2.977 . . . . 10.0 115.579 -174.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.8 -46.7 64.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.319 0.58 . . . . 10.0 109.69 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.426 HD21 ' O ' ' A' ' 32' ' ' LEU . 1.4 tm? -71.14 -32.13 68.59 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.268 -1.012 . . . . 10.0 108.268 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.773 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 49.9 t -63.24 -37.58 87.8 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 107.232 -1.395 . . . . 10.0 107.232 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -25.65 66.27 Favored 'General case' 0 N--CA 1.428 -1.528 0 N-CA-C 113.52 0.933 . . . . 10.0 113.52 -176.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -75.24 -23.62 57.56 Favored 'General case' 0 CA--C 1.491 -1.292 0 C-N-CA 116.643 -2.023 . . . . 10.0 109.21 179.554 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.639 ' O ' HG22 ' A' ' 40' ' ' VAL . 12.4 m0 -57.5 -30.3 65.01 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 105.856 -1.905 . . . . 10.0 105.856 178.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -54.79 -48.62 72.51 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 123.418 1.58 . . . . 10.0 110.005 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -54.45 -35.71 63.29 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 110.647 -2.979 . . . . 10.0 112.5 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.41 ' C ' ' H ' ' A' ' 41' ' ' ARG . . . -87.63 -15.18 38.02 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.616 -0.434 . . . . 10.0 110.985 -178.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 36' ' ' TRP . 15.3 t -92.32 35.49 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 107.268 -1.382 . . . . 10.0 107.268 173.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.41 ' H ' ' C ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -55.3 14.33 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 115.707 1.743 . . . . 10.0 115.707 -178.039 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.461 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -97.14 148.06 23.43 Favored 'General case' 0 C--N 1.314 -0.947 0 O-C-N 121.47 -0.769 . . . . 10.0 111.313 -179.854 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -56.22 -42.6 77.53 Favored 'General case' 0 CA--C 1.517 -0.291 0 O-C-N 123.69 0.619 . . . . 10.0 109.986 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -79.69 63.87 4.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.022 -0.99 . . . . 10.0 109.681 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.515 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 12.6 t80 -62.78 117.87 6.92 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.205 -1.035 . . . . 10.0 108.205 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.559 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -59.38 -173.3 0.04 OUTLIER Pre-proline 0 C--O 1.218 -0.586 0 CA-C-N 114.835 -1.075 . . . . 10.0 110.936 179.161 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.779 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 86.1 Cg_exo -46.79 176.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.656 1.571 . . . . 10.0 112.07 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.44 ' HB ' ' HE3' ' A' ' 49' ' ' LYS . 23.7 p -96.92 161.46 13.83 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 102.854 -3.017 . . . . 10.0 102.854 172.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.598 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -27.23 -16.44 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 O-C-N 127.773 3.171 . . . . 10.0 118.083 175.352 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 48' ' ' THR . 56.4 m-85 -75.49 -28.94 59.4 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 104.359 -2.46 . . . . 10.0 104.359 173.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.779 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 5.7 p -65.61 173.86 2.56 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 120.738 1.608 . . . . 10.0 108.624 172.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.509 ' C ' HD11 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -112.21 164.45 13.19 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.108 -0.951 . . . . 10.0 110.502 -179.152 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.545 HD11 ' N ' ' A' ' 53' ' ' ILE . 3.4 mp -132.65 159.25 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.942 1.297 . . . . 10.0 108.455 -176.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.593 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 15.2 p -105.53 156.31 18.35 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 119.735 1.152 . . . . 10.0 111.917 179.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.712 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.4 p -52.62 -40.79 63.11 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 118.684 2.846 . . . . 10.0 118.684 -173.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.536 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -53.51 -15.31 1.05 Allowed 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 114.399 1.259 . . . . 10.0 114.399 -177.025 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.552 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 90.9 m-70 -86.23 -16.36 37.93 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 114.659 1.355 . . . . 10.0 114.659 -177.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.488 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -135.95 137.07 40.94 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-N 118.288 0.495 . . . . 10.0 110.921 -178.483 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 p -41.0 137.27 1.5 Allowed Pre-proline 0 N--CA 1.43 -1.456 0 O-C-N 124.83 1.331 . . . . 10.0 110.901 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.512 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.6 Cg_endo -50.54 -28.18 21.12 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 122.771 2.314 . . . . 10.0 111.765 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.517 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 5.3 m-20 -61.16 -49.84 75.59 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 113.84 -1.527 . . . . 10.0 107.191 174.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.615 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -87.9 6.57 34.97 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 114.003 1.112 . . . . 10.0 114.003 -173.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.512 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -39.07 -58.32 1.15 Allowed 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.587 0.958 . . . . 10.0 113.587 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.495 ' HZ1' ' CD ' ' A' ' 66' ' ' GLU . 11.7 pttp -176.35 -135.58 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 1.6 ptm180 -62.18 -13.69 30.01 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.468 0.544 . . . . 10.0 112.468 -178.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.495 ' CD ' ' HZ1' ' A' ' 64' ' ' LYS . 41.2 mp0 -84.24 6.93 20.84 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 178.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.745 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 3.9 t -67.84 -116.98 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.115 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.457 ' N ' ' OG ' ' A' ' 67' ' ' SER . 1.3 m-20 -103.09 -69.84 0.78 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -89.56 -72.3 0.56 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.621 0.6 . . . . 10.0 112.621 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 14.4 tppt? -146.4 -20.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.401 0.519 . . . . 10.0 112.401 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.745 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -124.42 -159.56 0.88 Allowed 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 108.834 -0.802 . . . . 10.0 108.834 -179.771 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.658 ' CD1' ' HB3' ' A' ' 26' ' ' PRO . 1.2 mp -62.54 -172.0 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 122.422 1.106 . . . . 10.0 110.041 -176.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.636 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 5.3 mmmm -87.34 102.15 14.24 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 102.928 -2.99 . . . . 10.0 102.928 170.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.401 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -53.08 -3.87 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 115.519 1.674 . . . . 10.0 115.519 -178.186 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.425 ' H ' ' C ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -107.33 18.83 21.13 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 114.794 -1.094 . . . . 10.0 109.92 175.603 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.476 ' HB1' ' OG ' ' A' ' 62' ' ' SER . . . -145.12 143.71 30.53 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 123.61 1.671 . . . . 10.0 109.6 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.51 HG23 ' CD1' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -147.61 148.28 30.36 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 110.839 -2.892 . . . . 10.0 107.665 -179.115 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.552 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 1.7 Cg_endo -43.95 118.28 1.53 Allowed 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 123.398 2.732 . . . . 10.0 107.486 177.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.17 -9.24 7.62 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 112.988 -1.914 . . . . 10.0 109.052 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -96.2 7.61 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-N 115.282 -0.872 . . . . 10.0 110.817 -176.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.506 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.3 m-30 -39.91 -52.89 2.38 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 113.891 1.071 . . . . 10.0 113.891 -177.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 120.712 0.291 . . . . 10.0 110.779 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 . . . . . 0 N--CA 1.448 -0.572 0 N-CA-C 107.581 -1.266 . . . . 10.0 107.581 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.562 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER 179.28 169.78 1.0 Allowed 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.324 -0.853 . . . . 10.0 110.077 177.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.491 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 1.6 m -78.39 163.32 25.75 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 106.722 -1.584 . . . . 10.0 106.722 -176.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.669 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 29.3 t -74.06 0.57 13.35 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 113.216 -1.811 . . . . 10.0 111.078 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.95 -147.47 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.865 0.84 . . . . 10.0 112.747 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.581 ' CE1' ' HD3' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -116.34 73.58 0.86 Allowed 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 121.187 -0.946 . . . . 10.0 109.937 -177.835 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.23 32.86 21.91 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.361 -0.836 . . . . 10.0 114.598 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.529 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 24.1 t -89.57 74.12 7.67 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.034 0.445 . . . . 10.0 112.103 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.562 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 22.7 mmtt -71.91 63.73 0.48 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.843 -1.169 . . . . 10.0 107.843 176.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -92.33 26.1 2.7 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 121.846 -0.534 . . . . 10.0 111.303 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -23.26 133.7 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.266 0 O-C-N 124.86 1.35 . . . . 10.0 111.569 -179.528 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -35.6 108.79 0.07 Allowed 'General case' 0 C--N 1.351 0.659 0 CA-C-O 121.738 0.78 . . . . 10.0 112.547 -176.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.457 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 13.7 t0 -133.29 106.76 7.73 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 105.986 -1.857 . . . . 10.0 105.986 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -62.77 -16.26 57.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.425 -1.262 . . . . 10.0 111.521 -178.881 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.457 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.8 OUTLIER -73.84 -23.84 59.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.005 -0.998 . . . . 10.0 108.633 179.539 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -102.97 150.74 38.09 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 114.688 -1.142 . . . . 10.0 108.005 179.369 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -91.1 75.21 0.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.535 0 N-CA-C 116.116 1.544 . . . . 10.0 116.116 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.41 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 2.4 m -144.12 146.17 20.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 O-C-N 121.351 -0.843 . . . . 10.0 111.589 177.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.97 168.03 9.4 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.497 -0.774 . . . . 10.0 108.979 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -117.1 102.31 9.2 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 117.772 2.508 . . . . 10.0 117.772 -176.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.675 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -108.19 163.14 13.43 Favored 'General case' 0 C--O 1.198 -1.649 0 N-CA-C 115.286 1.587 . . . . 10.0 115.286 -171.365 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -96.0 164.83 12.54 Favored 'General case' 0 C--N 1.311 -1.101 0 C-N-CA 119.415 -0.914 . . . . 10.0 111.173 177.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.709 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.08 158.88 12.12 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 118.981 0.81 . . . . 10.0 110.157 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.531 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 60.3 Cg_endo -79.08 68.04 8.4 Favored 'Trans proline' 0 N--CA 1.474 0.34 0 C-N-CA 122.856 2.371 . . . . 10.0 108.158 177.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 mt -49.29 -38.73 28.39 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 112.83 -1.987 . . . . 10.0 115.697 -176.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.5 p -86.73 -1.08 57.44 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 109.164 -3.653 . . . . 10.0 113.62 -175.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -128.04 59.29 39.08 Favored Pre-proline 0 N--CA 1.446 -0.627 0 N-CA-C 105.453 -2.054 . . . . 10.0 105.453 174.622 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -47.09 -55.68 3.7 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.736 2.957 . . . . 10.0 115.45 -173.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.79 -47.74 51.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.267 0.556 . . . . 10.0 110.088 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.452 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . 1.4 tm? -69.9 -33.96 72.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.155 -0.929 . . . . 10.0 108.57 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.709 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 10.7 t -61.91 -38.43 88.37 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 106.894 -1.521 . . . . 10.0 106.894 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -69.18 -24.09 64.01 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 113.709 1.003 . . . . 10.0 113.709 -175.481 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.51 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -75.3 -22.04 58.01 Favored 'General case' 0 CA--C 1.484 -1.583 0 C-N-CA 116.054 -2.258 . . . . 10.0 108.864 179.162 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.55 ' CD1' HG23 ' A' ' 77' ' ' VAL . 12.5 m0 -56.41 -29.09 61.12 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 106.117 -1.808 . . . . 10.0 106.117 177.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -53.62 -49.4 67.92 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 123.772 1.749 . . . . 10.0 110.237 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -55.17 -33.74 63.24 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 110.411 -3.086 . . . . 10.0 112.649 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.62 -14.92 38.76 Favored 'General case' 0 C--N 1.309 -1.191 0 C-N-CA 119.602 -0.839 . . . . 10.0 109.707 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.464 ' C ' ' H ' ' A' ' 42' ' ' ARG . 18.0 t -90.67 34.72 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 1.017 0 CA-C-O 122.691 1.234 . . . . 10.0 108.01 175.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.03 13.35 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 114.366 -1.288 . . . . 10.0 114.194 -177.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.581 ' HD3' ' CE1' ' A' ' 8' ' ' TYR . 12.4 tpt180 -76.89 142.27 40.21 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -52.97 -57.77 9.22 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.977 0.418 . . . . 10.0 110.175 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.71 69.21 9.44 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.657 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -49.89 121.18 5.02 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 114.871 -1.059 . . . . 10.0 109.433 178.02 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.669 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -61.31 -171.27 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.175 -0.92 . . . . 10.0 110.582 178.471 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.726 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 79.6 Cg_exo -44.95 176.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.352 2.035 . . . . 10.0 113.036 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.2 p -83.69 -153.63 0.14 Allowed 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 103.238 -2.875 . . . . 10.0 103.238 172.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.618 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -89.97 -3.45 58.0 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 112.455 -2.157 . . . . 10.0 114.224 -173.863 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -77.58 -31.1 52.88 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 105.383 -2.08 . . . . 10.0 105.383 174.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.726 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 14.2 p -63.44 172.35 2.06 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 117.926 -1.51 . . . . 10.0 109.032 174.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.662 ' C ' HD11 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -109.52 159.1 17.35 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.221 -1.354 . . . . 10.0 109.913 -178.702 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.662 HD11 ' C ' ' A' ' 52' ' ' SER . 2.1 mp -128.63 159.2 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 108.063 -1.088 . . . . 10.0 108.063 -176.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.584 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.4 p -105.74 157.72 17.24 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-N 119.345 0.975 . . . . 10.0 111.25 178.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.675 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.3 p -54.24 -39.33 66.69 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 118.834 2.902 . . . . 10.0 118.834 -173.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.561 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -54.98 -14.87 1.65 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 114.384 1.253 . . . . 10.0 114.384 -176.366 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.408 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 87.4 m-70 -84.48 -16.68 41.63 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 114.651 1.352 . . . . 10.0 114.651 -177.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.581 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -127.41 174.65 8.83 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 -178.706 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.43 140.78 52.31 Favored Pre-proline 0 N--CA 1.428 -1.545 0 N-CA-C 108.972 -0.751 . . . . 10.0 108.972 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.689 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 8.2 Cg_endo -49.96 -32.04 29.26 Favored 'Trans proline' 0 C--N 1.329 -0.482 0 C-N-CA 123.328 2.686 . . . . 10.0 112.291 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.524 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 4.4 m-20 -57.91 -47.39 82.97 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.12 -1.4 . . . . 10.0 109.207 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.512 ' CB ' ' HG2' ' A' ' 73' ' ' LYS . 1.4 t -92.76 4.54 53.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 113.79 -1.55 . . . . 10.0 113.872 -174.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.689 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -39.05 -52.8 1.83 Allowed 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 114.301 1.223 . . . . 10.0 114.301 -179.739 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.424 ' HB2' ' H ' ' A' ' 65' ' ' ARG . 2.8 pttp -175.3 -140.61 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.361 0.874 . . . . 10.0 113.361 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.429 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 1.6 ptm180 -59.86 -8.54 2.24 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 -178.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.403 ' OE1' ' HG3' ' A' ' 65' ' ' ARG . 1.1 mp0 -90.63 5.52 47.62 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.18 -0.304 . . . . 10.0 110.18 178.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.839 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 5.5 t -68.49 -115.11 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.854 0 CA-C-O 120.813 0.34 . . . . 10.0 110.809 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.443 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -98.93 -70.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.943 -0.473 . . . . 10.0 111.744 -178.793 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -88.64 -74.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.366 -0.534 . . . . 10.0 112.261 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 70' ' ' LYS . 12.1 tppt? -148.45 -1.24 0.54 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.45 0.643 . . . . 10.0 111.004 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.839 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -140.55 -161.58 1.22 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 118.209 -0.9 . . . . 10.0 109.217 -178.675 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.531 ' CD1' ' HB3' ' A' ' 26' ' ' PRO . 4.0 mp -63.13 -175.7 0.11 Allowed 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 122.57 1.176 . . . . 10.0 110.933 -176.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.738 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -88.36 106.2 18.09 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 104.391 -2.448 . . . . 10.0 104.391 171.119 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.473 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -50.82 -4.14 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 116.09 1.885 . . . . 10.0 116.09 -177.724 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.407 ' H ' ' C ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -106.74 14.06 27.26 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.473 -0.785 . . . . 10.0 110.974 175.58 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.48 141.71 39.42 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 123.722 1.725 . . . . 10.0 110.137 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.55 HG23 ' CD1' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -147.45 147.91 29.61 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 110.566 -3.015 . . . . 10.0 108.379 -178.901 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.454 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 2.1 Cg_endo -46.27 120.72 3.92 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 123.883 3.055 . . . . 10.0 108.875 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.0 t -125.26 -10.44 6.99 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 113.454 -1.703 . . . . 10.0 110.133 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -90.0 6.16 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 115.591 -0.731 . . . . 10.0 111.321 -176.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -41.06 -54.15 2.88 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.099 1.148 . . . . 10.0 114.099 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.557 -0.534 . . . . 10.0 109.557 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.409 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -179.17 167.4 1.55 Allowed 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 178.766 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.462 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -77.63 166.27 23.22 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 107.454 -1.313 . . . . 10.0 107.454 -175.6 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.486 ' HA ' ' HB3' ' A' ' 46' ' ' LYS . 28.2 t -70.52 -1.11 9.94 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 112.106 -2.315 . . . . 10.0 111.255 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.76 -147.93 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 122.038 0.923 . . . . 10.0 110.905 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 11.7 p90 -147.25 74.66 1.34 Allowed 'General case' 0 N--CA 1.442 -0.859 0 O-C-N 121.142 -0.974 . . . . 10.0 109.389 178.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.06 -0.62 9.05 Favored Glycine 0 N--CA 1.439 -1.155 0 C-N-CA 120.06 -1.067 . . . . 10.0 113.838 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.552 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 41.8 t -92.43 75.14 5.21 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 114.047 1.129 . . . . 10.0 114.047 -178.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 69.4 mttt -74.47 68.57 1.59 Allowed 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 106.688 -1.597 . . . . 10.0 106.688 175.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.429 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 1.5 m-20 -90.23 30.15 1.15 Allowed 'General case' 0 C--N 1.321 -0.646 0 O-C-N 121.524 -0.735 . . . . 10.0 112.645 -178.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -24.67 139.97 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 O-C-N 124.902 1.376 . . . . 10.0 112.698 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.49 111.56 0.35 Allowed 'General case' 0 C--N 1.345 0.408 0 CA-C-O 122.243 1.02 . . . . 10.0 110.586 -177.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.405 ' CB ' ' HD2' ' A' ' 18' ' ' LYS . 1.2 t0 -139.57 108.92 6.13 Favored 'General case' 0 N--CA 1.434 -1.225 0 N-CA-C 105.168 -2.16 . . . . 10.0 105.168 177.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -58.08 -20.77 42.24 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.13 -0.941 . . . . 10.0 111.167 179.784 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.458 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 3.2 m-20 -65.84 -26.34 67.62 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.519 -1.218 . . . . 10.0 109.753 178.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HD2' ' CB ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -104.95 147.04 33.82 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 107.883 -1.155 . . . . 10.0 107.883 178.699 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -88.15 75.2 1.99 Allowed 'Trans proline' 0 N--CA 1.46 -0.495 0 N-CA-C 115.123 1.163 . . . . 10.0 115.123 -177.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.5 142.76 26.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 119.913 -0.715 . . . . 10.0 112.045 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -104.95 166.87 10.09 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 114.901 -1.045 . . . . 10.0 108.339 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -118.4 103.04 9.4 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 116.764 2.135 . . . . 10.0 116.764 -177.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.741 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.51 162.85 13.57 Favored 'General case' 0 C--O 1.193 -1.873 0 N-CA-C 115.078 1.51 . . . . 10.0 115.078 -170.652 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.406 ' HE2' ' HB3' ' A' ' 24' ' ' LYS . 1.5 mmmm -96.17 165.52 12.19 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 119.389 -0.924 . . . . 10.0 112.007 178.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.735 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -60.94 157.89 37.68 Favored Pre-proline 0 N--CA 1.47 0.574 0 CA-C-N 119.438 1.017 . . . . 10.0 110.967 178.806 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.542 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 53.8 Cg_endo -78.77 67.49 8.45 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.127 2.551 . . . . 10.0 109.037 178.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.9 mt -52.13 -34.51 44.82 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 124.335 2.017 . . . . 10.0 115.585 -176.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 p -84.98 -1.01 56.26 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 109.472 -3.513 . . . . 10.0 113.193 -175.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.57 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 5.7 ttm180 -134.66 64.37 63.1 Favored Pre-proline 0 N--CA 1.44 -0.949 0 N-CA-C 105.997 -1.853 . . . . 10.0 105.997 174.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.524 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.6 Cg_endo -48.84 -51.84 9.73 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 123.213 2.609 . . . . 10.0 114.472 -176.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -50.85 -47.62 60.27 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 -179.606 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.57 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 2.0 tm? -70.24 -33.72 71.98 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.479 -0.934 . . . . 10.0 108.479 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.735 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 50.3 t -61.71 -38.12 86.69 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 107.91 -1.145 . . . . 10.0 107.91 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -66.47 -27.51 67.86 Favored 'General case' 0 N--CA 1.422 -1.844 0 CA-C-N 114.591 -1.186 . . . . 10.0 113.484 -176.095 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.84 -23.21 58.41 Favored 'General case' 0 CA--C 1.493 -1.222 0 C-N-CA 115.767 -2.373 . . . . 10.0 109.109 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.659 ' O ' HG21 ' A' ' 40' ' ' VAL . 11.9 m0 -56.22 -31.94 63.96 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 105.663 -1.977 . . . . 10.0 105.663 177.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -54.47 -48.25 72.0 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 123.675 1.703 . . . . 10.0 110.635 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.09 -36.05 62.75 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 110.728 -2.942 . . . . 10.0 112.151 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.98 -14.49 36.46 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 119.792 -0.763 . . . . 10.0 110.861 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.659 HG21 ' O ' ' A' ' 36' ' ' TRP . 19.4 t -91.34 30.89 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 N-CA-C 107.914 -1.143 . . . . 10.0 107.914 175.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.53 13.88 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.485 1.291 . . . . 10.0 114.485 -178.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 14.1 tpt180 -81.31 151.23 28.13 Favored 'General case' 0 C--N 1.31 -1.141 0 O-C-N 121.985 -0.447 . . . . 10.0 111.112 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.53 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 15.3 ttpp -75.89 158.9 31.51 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 105.707 -1.96 . . . . 10.0 105.707 174.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.474 ' OD1' ' HG2' ' A' ' 43' ' ' LYS . 31.6 m-20 65.27 30.0 11.42 Favored 'General case' 0 N--CA 1.435 -1.222 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.632 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -29.09 124.96 0.12 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.856 1.263 . . . . 10.0 111.303 178.606 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.632 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 1.1 mttp -58.39 -173.14 0.04 OUTLIER Pre-proline 0 C--O 1.216 -0.669 0 C-N-CA 124.465 1.106 . . . . 10.0 111.063 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.769 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 87.8 Cg_exo -45.32 175.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 C-N-CA 122.495 2.13 . . . . 10.0 112.858 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 50' ' ' TYR . 13.9 p -101.76 159.74 15.07 Favored 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 102.772 -3.047 . . . . 10.0 102.772 172.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.608 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -25.86 -17.85 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 O-C-N 128.046 3.341 . . . . 10.0 118.032 175.627 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 48' ' ' THR . 81.0 m-85 -74.84 -27.31 60.22 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 104.619 -2.363 . . . . 10.0 104.619 173.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.769 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 4.1 p -67.4 173.06 4.28 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 120.59 1.541 . . . . 10.0 109.268 172.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.528 ' C ' HD13 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -110.3 161.0 16.05 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 114.985 -1.007 . . . . 10.0 109.266 -179.756 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.528 HD13 ' C ' ' A' ' 52' ' ' SER . 3.3 mp -129.34 157.15 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 124.646 1.178 . . . . 10.0 108.432 -175.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.55 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 21.2 p -106.46 151.29 25.14 Favored 'General case' 0 CA--C 1.554 1.101 0 CA-C-N 120.046 1.294 . . . . 10.0 112.938 179.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.741 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 49.9 p -39.17 -49.7 1.86 Allowed 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 118.734 2.864 . . . . 10.0 118.734 -174.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.552 ' OE2' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -50.09 -16.37 0.29 Allowed 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 114.899 1.444 . . . . 10.0 114.899 -175.484 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.539 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 84.2 m-70 -85.82 -17.02 36.85 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 114.061 1.134 . . . . 10.0 114.061 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.572 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -133.82 132.86 40.92 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 118.727 0.694 . . . . 10.0 111.689 -179.397 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p -40.38 137.59 1.28 Allowed Pre-proline 0 N--CA 1.434 -1.272 0 O-C-N 124.865 1.353 . . . . 10.0 110.621 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.61 ' O ' ' HB2' ' A' ' 63' ' ' PHE . 8.9 Cg_endo -49.51 -27.94 15.29 Favored 'Trans proline' 0 C--N 1.323 -0.795 0 C-N-CA 123.067 2.512 . . . . 10.0 111.831 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.459 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -61.64 -51.22 69.36 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 113.49 -1.686 . . . . 10.0 107.588 174.8 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.522 ' OG ' ' HG2' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -88.03 6.54 35.59 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 113.612 0.967 . . . . 10.0 113.612 -174.296 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.61 ' HB2' ' O ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -37.69 -61.39 0.63 Allowed 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 113.958 -1.474 . . . . 10.0 114.34 179.637 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.541 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -175.97 -131.72 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 117.823 0.283 . . . . 10.0 111.581 -178.442 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.585 ' HA ' ' C ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -61.7 -20.9 63.98 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.15 0.5 . . . . 10.0 110.886 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -81.96 5.91 17.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.631 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.775 ' OG ' ' HD2' ' A' ' 73' ' ' LYS . 1.4 t -72.35 -95.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.016 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.424 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.4 OUTLIER -100.98 -71.14 0.72 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.213 0.53 . . . . 10.0 110.023 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -111.14 -64.64 1.25 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.559 -0.746 . . . . 10.0 111.771 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.585 ' C ' ' HA ' ' A' ' 65' ' ' ARG . 13.0 ttmm -146.21 1.99 0.86 Allowed 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 111.801 0.297 . . . . 10.0 111.801 -178.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.664 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -146.4 -170.84 3.6 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.766 -0.635 . . . . 10.0 110.053 179.527 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.542 ' CD1' ' HB3' ' A' ' 26' ' ' PRO . 2.1 mp -61.74 -177.35 0.11 Allowed 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 122.56 1.171 . . . . 10.0 110.815 -174.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.775 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -88.84 108.68 19.65 Favored 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 104.558 -2.386 . . . . 10.0 104.558 172.177 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -51.49 -5.16 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 115.329 1.604 . . . . 10.0 115.329 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -110.43 18.05 20.19 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.213 -0.903 . . . . 10.0 110.671 176.007 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.476 ' HB2' ' OG ' ' A' ' 62' ' ' SER . . . -143.51 145.34 32.49 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 123.894 1.806 . . . . 10.0 110.718 -177.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.462 HG21 ' CD1' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -150.84 148.99 24.37 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 110.306 -3.134 . . . . 10.0 107.757 -178.026 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.539 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 2.2 Cg_endo -43.93 120.39 2.38 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 123.51 2.807 . . . . 10.0 108.444 178.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 t -123.0 -10.65 8.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 113.418 -1.719 . . . . 10.0 109.363 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.44 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.8 OUTLIER -91.49 7.07 4.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 115.068 -0.969 . . . . 10.0 112.508 -176.096 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.478 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 3.9 m-30 -40.49 -53.72 2.61 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.311 0.856 . . . . 10.0 113.311 -177.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.562 ' HB2' ' CE1' ' A' ' 8' ' ' TYR . 7.5 mt . . . . . 0 CA--C 1.517 -0.3 0 O-C-N 123.297 0.373 . . . . 10.0 110.128 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 . . . . . 0 N--CA 1.447 -0.579 0 N-CA-C 110.443 -0.206 . . . . 10.0 110.443 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.575 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER 178.87 170.27 0.87 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 120.875 0.369 . . . . 10.0 111.3 178.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.537 ' N ' ' HG ' ' A' ' 4' ' ' SER . 1.8 m -84.34 167.73 16.27 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 107.613 -1.254 . . . . 10.0 107.613 -177.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.657 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 8.2 t -74.46 2.32 9.81 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 112.859 -1.973 . . . . 10.0 111.832 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.79 -152.29 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 122.181 0.991 . . . . 10.0 112.956 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.449 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 1.4 t80 -109.02 67.27 0.65 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 -178.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.41 35.17 12.38 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 120.738 -0.744 . . . . 10.0 113.528 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.538 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 8.3 t -85.99 76.45 9.82 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 117.614 0.707 . . . . 10.0 112.563 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.575 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 29.4 mmtp -73.29 62.83 0.71 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.855 -0.794 . . . . 10.0 108.855 176.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.433 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER -89.65 30.3 1.05 Allowed 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.72 -0.613 . . . . 10.0 111.64 -179.125 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -23.97 135.72 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 O-C-N 124.902 1.376 . . . . 10.0 112.145 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.52 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -44.68 111.72 0.34 Allowed 'General case' 0 C--N 1.35 0.628 0 CA-C-O 122.152 0.977 . . . . 10.0 111.126 -177.877 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.582 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 0.9 OUTLIER -140.58 111.28 6.89 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 105.474 -2.047 . . . . 10.0 105.474 178.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -61.03 -21.2 63.38 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.973 -1.012 . . . . 10.0 112.013 -178.36 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.582 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 1.5 m-20 -68.35 -22.09 64.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.626 -1.17 . . . . 10.0 109.692 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HZ2' ' HB3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -105.55 138.76 19.68 Favored Pre-proline 0 C--N 1.315 -0.925 0 N-CA-C 107.923 -1.14 . . . . 10.0 107.923 177.829 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -84.92 76.36 3.3 Favored 'Trans proline' 0 C--O 1.238 0.484 0 C-N-CA 121.58 1.52 . . . . 10.0 116.015 -176.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.46 ' HA ' ' HG ' ' A' ' 55' ' ' SER . 3.4 m -144.41 143.1 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.581 0.705 . . . . 10.0 111.797 178.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.59 168.68 9.12 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 114.663 -1.153 . . . . 10.0 107.918 177.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.52 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -118.66 102.56 8.95 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 117.331 2.345 . . . . 10.0 117.331 -177.266 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.72 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -106.13 159.63 15.94 Favored 'General case' 0 C--O 1.195 -1.792 0 N-CA-C 114.827 1.417 . . . . 10.0 114.827 -170.876 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 34.4 mtpt -95.03 164.46 12.88 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 114.985 -1.007 . . . . 10.0 111.418 178.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.71 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -57.8 156.47 18.32 Favored Pre-proline 0 C--N 1.318 -0.791 0 CA-C-N 118.067 0.394 . . . . 10.0 110.915 -179.748 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.452 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 51.9 Cg_endo -78.48 67.58 8.27 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.818 2.345 . . . . 10.0 108.519 178.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 27' ' ' LEU . 18.2 mt -49.42 -38.78 30.34 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 112.486 -2.143 . . . . 10.0 115.756 -177.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 p -88.09 0.64 55.74 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 109.884 -3.325 . . . . 10.0 112.587 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.411 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -127.5 56.51 19.85 Favored Pre-proline 0 N--CA 1.439 -0.997 0 N-CA-C 105.858 -1.904 . . . . 10.0 105.858 175.067 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.574 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 9.2 Cg_endo -48.36 -53.58 6.57 Favored 'Trans proline' 0 C--O 1.219 -0.454 0 C-N-CA 123.938 3.092 . . . . 10.0 115.362 -174.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.485 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -52.85 -45.81 67.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.499 0.666 . . . . 10.0 109.291 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.417 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 2.2 tm? -70.54 -31.92 69.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.406 -1.27 . . . . 10.0 108.97 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.71 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 44.0 t -63.95 -36.83 85.24 Favored 'General case' 0 CA--C 1.502 -0.893 0 N-CA-C 107.293 -1.373 . . . . 10.0 107.293 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -66.56 -27.41 67.71 Favored 'General case' 0 N--CA 1.421 -1.888 0 CA-C-N 115.018 -0.992 . . . . 10.0 113.515 -176.44 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.564 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.7 OUTLIER -74.81 -22.27 58.82 Favored 'General case' 0 CA--C 1.497 -1.074 0 C-N-CA 116.044 -2.263 . . . . 10.0 108.785 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.602 ' O ' HG22 ' A' ' 40' ' ' VAL . 11.8 m0 -58.82 -29.87 67.21 Favored 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 106.118 -1.808 . . . . 10.0 106.118 178.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -55.39 -48.43 74.33 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 123.544 1.64 . . . . 10.0 109.338 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -55.09 -34.44 63.64 Favored 'General case' 0 C--N 1.361 1.108 0 CA-C-N 110.593 -3.003 . . . . 10.0 112.001 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.44 ' O ' ' HD2' ' A' ' 81' ' ' PHE . . . -87.23 -15.21 38.87 Favored 'General case' 0 C--N 1.309 -1.179 0 C-N-CA 120.582 -0.447 . . . . 10.0 110.266 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 36' ' ' TRP . 18.5 t -91.51 44.06 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 107.741 -1.207 . . . . 10.0 107.741 174.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.31 12.12 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.292 1.219 . . . . 10.0 114.292 -178.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.456 ' HG3' ' OD1' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -76.58 137.43 39.53 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 179.323 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.446 ' H ' ' CZ ' ' A' ' 42' ' ' ARG . 36.4 tttt -54.69 -52.6 61.89 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 108.863 -0.792 . . . . 10.0 108.863 178.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.456 ' OD1' ' HG3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -82.49 66.78 8.25 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.288 -0.869 . . . . 10.0 108.839 178.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.637 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 5.6 t80 -47.17 126.12 8.78 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.247 -0.888 . . . . 10.0 109.425 178.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.657 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.3 OUTLIER -61.92 -172.23 0.05 OUTLIER Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 114.836 -1.074 . . . . 10.0 110.834 178.828 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.758 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 80.8 Cg_exo -46.39 176.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 122.117 1.878 . . . . 10.0 111.83 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.4 p -81.74 -153.02 0.1 Allowed 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 103.382 -2.822 . . . . 10.0 103.382 173.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.498 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -90.46 -3.26 57.78 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 112.061 -2.336 . . . . 10.0 114.219 -174.077 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -77.88 -31.77 51.5 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 105.391 -2.077 . . . . 10.0 105.391 173.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.758 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 9.4 p -62.43 172.32 1.59 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 120.606 1.548 . . . . 10.0 109.55 175.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.645 ' C ' HD11 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -110.31 160.81 16.22 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.076 -1.42 . . . . 10.0 109.764 -178.577 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.645 HD11 ' C ' ' A' ' 52' ' ' SER . 2.9 mp -130.36 157.11 42.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 114.159 -1.382 . . . . 10.0 107.578 -175.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.556 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 15.9 p -107.65 155.17 20.45 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 120.185 1.357 . . . . 10.0 111.969 178.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.72 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 2.2 p -48.46 -39.16 21.91 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 119.024 2.972 . . . . 10.0 119.024 -172.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.539 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -54.85 -16.05 2.37 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 114.427 1.269 . . . . 10.0 114.427 -176.087 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.512 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 88.3 m-70 -85.67 -16.85 37.77 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 114.535 1.309 . . . . 10.0 114.535 -177.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.567 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -138.73 137.16 36.49 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-N 118.361 0.528 . . . . 10.0 111.353 -178.501 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.8 p -42.58 139.12 2.04 Favored Pre-proline 0 N--CA 1.434 -1.272 0 O-C-N 124.689 1.243 . . . . 10.0 111.72 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.657 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.5 Cg_endo -50.31 -28.61 21.06 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 122.733 2.288 . . . . 10.0 112.136 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.477 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 0.8 OUTLIER -60.48 -50.76 72.27 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 113.51 -1.677 . . . . 10.0 107.436 174.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.606 ' OG ' ' HB1' ' A' ' 76' ' ' ALA . 0.2 OUTLIER -90.76 7.21 40.8 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 113.865 1.061 . . . . 10.0 113.865 -174.531 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.657 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -40.72 -59.49 1.38 Allowed 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 113.97 1.1 . . . . 10.0 113.97 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.448 ' HB2' ' H ' ' A' ' 65' ' ' ARG . 22.9 pttt -175.83 -136.54 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.448 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 3.2 ptm180 -59.59 -13.72 10.53 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.333 0.653 . . . . 10.0 112.55 -178.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -85.37 5.74 29.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.785 0.326 . . . . 10.0 110.619 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.825 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 9.0 t -68.01 -114.05 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.938 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.4 ' N ' ' OG ' ' A' ' 67' ' ' SER . 1.1 m120 -102.81 -75.08 0.62 Allowed 'General case' 0 C--N 1.321 -0.653 0 O-C-N 122.027 -0.421 . . . . 10.0 112.102 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -82.83 -74.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.794 -0.362 . . . . 10.0 111.774 -177.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -149.9 -2.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.917 0.389 . . . . 10.0 111.932 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.825 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -139.44 -163.82 1.56 Allowed 'General case' 0 C--O 1.213 -0.856 0 CA-C-O 118.277 -0.868 . . . . 10.0 109.297 -179.111 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.591 HD21 ' O ' ' A' ' 62' ' ' SER . 3.4 mp -62.73 -173.47 0.05 Allowed 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 122.396 1.093 . . . . 10.0 109.936 -175.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.583 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -87.79 101.98 14.22 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 104.482 -2.414 . . . . 10.0 104.482 170.721 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.417 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -49.72 -4.27 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 116.261 1.949 . . . . 10.0 116.261 -177.119 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.421 ' H ' ' C ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -106.82 14.46 26.66 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.212 175.819 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.606 ' HB1' ' OG ' ' A' ' 62' ' ' SER . . . -140.73 146.46 37.77 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 123.595 1.664 . . . . 10.0 110.954 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.425 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -147.16 149.84 36.39 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 111.076 -2.783 . . . . 10.0 109.312 -177.605 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.533 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 2.1 Cg_endo -45.9 122.78 5.46 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 123.148 2.565 . . . . 10.0 107.437 176.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.01 -10.55 7.14 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 113.961 -1.472 . . . . 10.0 109.757 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -93.29 6.56 6.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 115.593 -0.731 . . . . 10.0 111.178 -175.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.446 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.7 m-30 -39.06 -45.12 1.21 Allowed 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.938 1.088 . . . . 10.0 113.938 -177.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.449 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 N-CA-C 109.964 -0.384 . . . . 10.0 109.964 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 . . . . . 0 N--CA 1.445 -0.711 0 N-CA-C 108.972 -0.751 . . . . 10.0 108.972 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.626 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 1.1 t -177.63 161.44 1.68 Allowed 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.796 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.634 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 1.6 m -80.5 163.17 23.95 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 107.155 -1.424 . . . . 10.0 107.155 -176.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.593 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -72.67 1.22 8.75 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 112.201 -2.272 . . . . 10.0 112.271 -179.839 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.13 -149.09 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.764 0.793 . . . . 10.0 111.656 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.566 ' CE2' ' HD3' ' A' ' 42' ' ' ARG . 1.4 t80 -110.88 69.43 0.69 Allowed 'General case' 0 N--CA 1.442 -0.826 0 O-C-N 121.083 -1.01 . . . . 10.0 108.855 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.78 29.96 14.47 Favored Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 114.994 -1.003 . . . . 10.0 114.541 178.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.509 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 44.8 t -83.96 75.54 10.12 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 117.715 0.758 . . . . 10.0 112.119 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.626 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 58.6 mttt -72.06 65.16 0.56 Allowed 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.658 -0.867 . . . . 10.0 108.658 176.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -91.11 27.25 1.92 Allowed 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.65 -0.656 . . . . 10.0 111.634 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -23.68 136.37 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 124.808 1.317 . . . . 10.0 111.71 -179.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.435 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -46.31 109.77 0.22 Allowed 'General case' 0 C--N 1.349 0.569 0 CA-C-O 121.873 0.844 . . . . 10.0 111.287 -176.83 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.619 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 67.1 t0 -133.78 118.31 17.89 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 104.565 -2.383 . . . . 10.0 104.565 176.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -62.94 -17.3 61.7 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 114.386 -1.279 . . . . 10.0 110.572 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.438 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -71.46 -27.66 63.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.876 -1.056 . . . . 10.0 109.777 178.577 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.619 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -100.85 142.44 24.62 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 114.936 -1.029 . . . . 10.0 108.338 179.507 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -90.74 77.03 0.72 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 121.76 1.64 . . . . 10.0 115.496 -176.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.404 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 1.6 m -145.31 148.2 17.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-O 121.37 0.605 . . . . 10.0 111.537 179.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 p -103.45 167.86 9.53 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 114.506 -1.224 . . . . 10.0 108.526 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.435 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 1.7 m-85 -121.27 102.05 8.04 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 116.518 2.044 . . . . 10.0 116.518 -177.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.717 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.52 160.17 15.87 Favored 'General case' 0 C--O 1.202 -1.428 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 -171.168 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -94.98 162.0 13.91 Favored 'General case' 0 C--N 1.307 -1.276 0 C-N-CA 119.182 -1.007 . . . . 10.0 111.563 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.798 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.2 m-85 -56.01 157.16 8.83 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 118.79 0.723 . . . . 10.0 110.762 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.476 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 65.1 Cg_endo -76.98 66.86 7.65 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.733 2.288 . . . . 10.0 108.871 177.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 mt -50.5 -35.26 28.45 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-O 124.408 2.051 . . . . 10.0 115.215 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.7 p -88.27 -0.81 57.55 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 109.291 -3.595 . . . . 10.0 113.119 -175.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.505 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.82 57.94 35.27 Favored Pre-proline 0 N--CA 1.445 -0.68 0 N-CA-C 105.92 -1.881 . . . . 10.0 105.92 174.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.485 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 3.0 Cg_endo -44.34 -55.8 2.97 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 124.173 3.249 . . . . 10.0 115.733 -175.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 m -50.98 -46.12 61.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.996 0.427 . . . . 10.0 109.949 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.415 ' CB ' ' HD3' ' A' ' 29' ' ' ARG . 1.6 tm? -70.37 -34.87 73.09 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.242 -1.022 . . . . 10.0 108.242 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.798 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 40.1 t -61.9 -37.83 86.06 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 107.099 -1.445 . . . . 10.0 107.099 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.03 -25.85 65.59 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 113.591 0.96 . . . . 10.0 113.591 -175.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.7 OUTLIER -73.97 -24.12 59.57 Favored 'General case' 0 CA--C 1.493 -1.232 0 C-N-CA 116.418 -2.113 . . . . 10.0 109.272 179.253 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.602 ' O ' HG22 ' A' ' 40' ' ' VAL . 12.2 m0 -57.21 -30.57 64.67 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 106.05 -1.833 . . . . 10.0 106.05 178.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -55.36 -47.56 75.58 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 123.774 1.749 . . . . 10.0 109.972 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -56.15 -34.48 66.19 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 110.419 -3.082 . . . . 10.0 112.451 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.06 -14.5 41.29 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 120.956 0.408 . . . . 10.0 110.635 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 36' ' ' TRP . 22.2 t -91.66 43.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 106.855 -1.535 . . . . 10.0 106.855 173.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.46 14.21 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 113.485 -1.689 . . . . 10.0 115.477 -177.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.566 ' HD3' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -98.78 142.76 29.91 Favored 'General case' 0 C--N 1.313 -1.013 0 O-C-N 121.3 -0.875 . . . . 10.0 111.593 -179.356 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 2.8 tttt -54.31 -44.05 71.66 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.381 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.462 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -82.85 65.34 7.93 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.234 -0.894 . . . . 10.0 109.913 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.528 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 9.2 t80 -60.85 119.42 8.19 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 114.986 -1.007 . . . . 10.0 109.132 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.634 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -59.94 -172.07 0.04 OUTLIER Pre-proline 0 C--O 1.22 -0.473 0 CA-C-N 114.958 -1.019 . . . . 10.0 110.959 178.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.731 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 99.8 Cg_exo -44.5 175.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.363 1.292 0 C-N-CA 122.138 1.892 . . . . 10.0 111.964 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.447 ' HB ' ' CE ' ' A' ' 49' ' ' LYS . 11.8 p -97.36 161.61 13.71 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 103.29 -2.856 . . . . 10.0 103.29 172.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.581 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -27.77 -17.63 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 O-C-N 127.735 3.147 . . . . 10.0 117.868 175.087 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -73.78 -29.52 62.24 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 104.535 -2.394 . . . . 10.0 104.535 173.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.731 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 6.9 p -65.43 173.13 2.79 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 121.056 1.753 . . . . 10.0 108.797 173.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.561 ' C ' HD11 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -109.65 163.61 13.32 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 114.818 -1.083 . . . . 10.0 110.148 -178.529 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.561 HD11 ' C ' ' A' ' 52' ' ' SER . 3.2 mp -131.79 158.48 43.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 N-CA-C 107.749 -1.204 . . . . 10.0 107.749 -177.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.583 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.3 p -106.36 156.33 18.62 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.778 1.172 . . . . 10.0 111.833 178.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.717 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.4 p -49.98 -40.45 44.24 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 118.294 2.701 . . . . 10.0 118.294 -173.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.533 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -55.13 -15.81 2.54 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 114.344 1.238 . . . . 10.0 114.344 -176.502 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.49 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 95.4 m-70 -85.21 -16.67 39.51 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 114.529 1.307 . . . . 10.0 114.529 -177.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.482 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -138.56 138.82 38.32 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 118.249 0.477 . . . . 10.0 110.956 -178.468 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -43.5 138.14 2.92 Favored Pre-proline 0 N--CA 1.429 -1.486 0 CA-C-N 114.597 -1.183 . . . . 10.0 111.041 179.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.542 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.9 Cg_endo -50.39 -28.39 20.91 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.936 2.424 . . . . 10.0 112.399 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.572 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 1.7 m-20 -60.06 -50.82 72.21 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 106.78 -1.563 . . . . 10.0 106.78 174.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.562 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -88.86 5.87 41.79 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 113.925 1.083 . . . . 10.0 113.925 -174.358 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -39.52 -56.9 1.55 Allowed 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 113.771 1.026 . . . . 10.0 113.771 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HB2' ' H ' ' A' ' 65' ' ' ARG . 0.2 OUTLIER -176.36 -141.35 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -177.671 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.433 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -57.97 -13.71 5.07 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.391 0.677 . . . . 10.0 112.584 -179.358 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -82.73 5.8 20.18 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.088 -0.338 . . . . 10.0 110.088 178.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.84 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 3.9 t -70.49 -109.52 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.627 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.405 ' N ' ' OG ' ' A' ' 67' ' ' SER . 1.6 m120 -100.98 -69.13 0.79 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.384 0.513 . . . . 10.0 112.384 -178.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -99.42 -71.02 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.294 0.479 . . . . 10.0 112.294 -178.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -145.91 -2.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.407 0.521 . . . . 10.0 112.407 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.84 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -138.24 -163.95 1.54 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 118.748 -0.644 . . . . 10.0 109.755 -179.609 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.562 HD21 ' O ' ' A' ' 62' ' ' SER . 4.0 mp -64.39 -170.71 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 122.589 1.185 . . . . 10.0 109.534 -177.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.637 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 2.0 mmmm -87.51 102.66 14.79 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 102.595 -3.113 . . . . 10.0 102.595 170.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.505 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 4.6 pt-20 -49.92 -5.04 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 115.916 1.821 . . . . 10.0 115.916 -178.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.421 ' H ' ' C ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -110.01 16.68 21.73 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.868 176.189 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.455 ' HB1' ' OG ' ' A' ' 62' ' ' SER . . . -140.38 146.88 38.96 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 123.644 1.688 . . . . 10.0 109.717 -179.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.4 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -148.58 151.01 35.09 Favored Pre-proline 0 N--CA 1.449 -0.482 0 CA-C-N 110.484 -3.053 . . . . 10.0 108.244 -177.583 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.512 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 2.1 Cg_endo -45.46 120.4 3.21 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 123.498 2.798 . . . . 10.0 107.537 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.03 -9.88 8.2 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 113.457 -1.701 . . . . 10.0 108.695 177.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.469 HG22 HD12 ' A' ' 80' ' ' ILE . 0.7 OUTLIER -94.6 6.74 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-N 115.402 -0.817 . . . . 10.0 111.1 -176.429 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.481 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.0 OUTLIER -40.7 -47.29 2.78 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.84 1.052 . . . . 10.0 113.84 -177.768 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.381 0 N-CA-C 110.286 -0.265 . . . . 10.0 110.286 -179.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 . . . . . 0 N--CA 1.446 -0.674 0 N-CA-C 109.753 -0.462 . . . . 10.0 109.753 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.554 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 2.6 t -178.24 171.12 1.7 Allowed 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.071 0.462 . . . . 10.0 111.547 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.498 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -80.27 156.77 26.67 Favored 'General case' 0 C--N 1.339 0.138 0 N-CA-C 107.093 -1.447 . . . . 10.0 107.093 -176.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.634 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -67.96 3.82 1.41 Allowed 'General case' 0 C--N 1.349 0.553 0 CA-C-N 114.076 -1.42 . . . . 10.0 112.621 179.213 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.06 -149.19 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.064 0.765 . . . . 10.0 113.064 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -115.12 70.69 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.519 0.676 . . . . 10.0 109.935 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.49 28.52 26.98 Favored Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 120.583 -0.818 . . . . 10.0 113.935 178.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.568 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 44.1 t -89.98 74.31 7.29 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.554 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 43.9 mttp -71.23 65.89 0.41 Allowed 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.497 -0.927 . . . . 10.0 108.497 176.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.61 31.09 0.6 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.848 -0.532 . . . . 10.0 110.951 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.407 ' H ' ' C ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -23.6 134.32 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 O-C-N 125.077 1.486 . . . . 10.0 111.902 -179.484 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.96 114.46 0.79 Allowed 'General case' 0 CA--C 1.508 -0.643 0 CA-C-O 122.271 1.034 . . . . 10.0 109.672 -177.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -141.73 112.54 7.26 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 104.719 -2.326 . . . . 10.0 104.719 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -20.35 64.3 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.453 -0.794 . . . . 10.0 109.885 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.45 -26.83 66.59 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.506 -1.225 . . . . 10.0 109.722 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.68 141.07 22.13 Favored Pre-proline 0 C--O 1.235 0.334 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 178.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -85.87 74.57 3.37 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 N-CA-C 116.276 1.606 . . . . 10.0 116.276 -176.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.84 144.86 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-O 121.154 0.502 . . . . 10.0 110.959 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.55 169.05 8.76 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 114.722 -1.126 . . . . 10.0 108.805 178.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -117.75 103.74 10.29 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 118.155 2.65 . . . . 10.0 118.155 -177.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.767 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -100.4 -174.93 2.78 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 114.631 1.345 . . . . 10.0 114.631 -171.242 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -125.8 164.83 19.83 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 103.976 -2.601 . . . . 10.0 103.976 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.725 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.5 m-85 -61.16 157.86 40.08 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 119.445 1.021 . . . . 10.0 110.882 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.574 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 89.2 Cg_endo -75.58 86.65 1.45 Allowed 'Trans proline' 0 CA--C 1.514 -0.494 0 C-N-CA 122.322 2.014 . . . . 10.0 107.343 176.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.1 mt -69.93 -35.29 74.42 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 112.664 -2.062 . . . . 10.0 114.232 -174.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.4 p -94.07 9.83 36.11 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 113.179 -1.828 . . . . 10.0 110.429 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.415 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -132.78 55.8 19.19 Favored Pre-proline 0 N--CA 1.445 -0.676 0 N-CA-C 106.481 -1.674 . . . . 10.0 106.481 175.031 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.539 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.5 Cg_endo -48.72 -52.04 9.3 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.564 2.843 . . . . 10.0 114.4 -176.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.411 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -53.29 -43.93 67.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.561 0.696 . . . . 10.0 109.632 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -71.1 -33.78 70.49 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.89 -1.152 . . . . 10.0 107.89 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.725 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 42.2 t -63.48 -37.46 87.38 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 106.609 -1.626 . . . . 10.0 106.609 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -66.11 -26.3 67.39 Favored 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 113.191 0.811 . . . . 10.0 113.191 -176.538 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.561 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -75.31 -24.47 57.44 Favored 'General case' 0 CA--C 1.495 -1.166 0 C-N-CA 116.533 -2.067 . . . . 10.0 109.008 179.29 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.659 ' O ' HG22 ' A' ' 40' ' ' VAL . 11.7 m0 -58.17 -29.18 65.4 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 105.566 -2.013 . . . . 10.0 105.566 178.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -56.45 -48.23 77.47 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-O 123.472 1.606 . . . . 10.0 109.677 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -56.38 -32.42 64.77 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 110.944 -2.844 . . . . 10.0 112.871 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.88 -15.22 39.71 Favored 'General case' 0 C--N 1.308 -1.226 0 C-N-CA 120.368 -0.533 . . . . 10.0 110.598 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.659 HG22 ' O ' ' A' ' 36' ' ' TRP . 6.3 t -93.44 39.03 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 108.205 -1.035 . . . . 10.0 108.205 174.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.99 14.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 116.062 1.875 . . . . 10.0 116.062 -177.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -97.62 155.35 17.02 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 121.305 -0.872 . . . . 10.0 111.426 -179.509 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -63.31 -41.9 98.96 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.492 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.81 62.46 6.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.428 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.628 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 2.3 t80 -61.96 124.79 21.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.365 -0.834 . . . . 10.0 109.541 179.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.634 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -64.11 -171.83 0.06 OUTLIER Pre-proline 0 CA--C 1.547 0.833 0 CA-C-N 114.633 -1.167 . . . . 10.0 111.02 179.123 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.754 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 79.7 Cg_exo -45.95 178.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 122.939 2.426 . . . . 10.0 112.68 178.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.1 p -80.15 -153.16 0.08 Allowed 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 103.951 -2.611 . . . . 10.0 103.951 173.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.568 ' HD3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -90.7 -4.72 56.52 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 112.277 -2.238 . . . . 10.0 113.771 -174.821 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -78.36 -27.71 46.99 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 105.731 -1.951 . . . . 10.0 105.731 175.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.754 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 4.0 p -64.46 174.14 1.82 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 121.12 1.782 . . . . 10.0 107.725 173.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.575 ' C ' HD11 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.29 165.11 11.87 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 114.803 -1.09 . . . . 10.0 110.31 -178.426 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.575 HD11 ' C ' ' A' ' 52' ' ' SER . 3.4 mp -134.14 159.28 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 N-CA-C 108.774 -0.824 . . . . 10.0 108.774 -176.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.651 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.3 p -106.9 159.58 16.15 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 119.941 1.246 . . . . 10.0 111.887 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.767 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 5.4 p -55.16 -40.99 71.28 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 118.894 2.924 . . . . 10.0 118.894 -172.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.568 ' OE2' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -55.86 -14.4 2.39 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 114.695 1.368 . . . . 10.0 114.695 -175.855 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.459 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 91.0 m-70 -85.78 -16.99 37.08 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 114.458 1.281 . . . . 10.0 114.458 -177.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.566 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -139.19 138.95 37.36 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 118.576 0.625 . . . . 10.0 111.086 -179.176 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p -42.77 138.57 2.24 Favored Pre-proline 0 N--CA 1.434 -1.24 0 O-C-N 124.682 1.239 . . . . 10.0 111.188 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.615 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 7.5 Cg_endo -49.16 -30.04 17.98 Favored 'Trans proline' 0 N--CA 1.449 -1.109 0 C-N-CA 122.99 2.46 . . . . 10.0 112.65 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.462 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -60.05 -50.72 72.61 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 113.559 -1.655 . . . . 10.0 107.39 174.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.599 ' OG ' ' HB3' ' A' ' 76' ' ' ALA . 0.2 OUTLIER -90.34 7.61 37.65 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 -174.507 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.615 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -41.4 -56.54 2.46 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.879 -1.055 . . . . 10.0 113.249 179.731 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.446 ' HB2' ' H ' ' A' ' 65' ' ' ARG . 4.6 pttt -175.75 -139.88 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 112.015 0.376 . . . . 10.0 112.015 -177.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.446 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 6.8 ptm180 -61.0 -12.73 12.42 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.017 0.527 . . . . 10.0 112.354 -178.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.59 6.11 18.72 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.799 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 1.2 t -69.27 -106.33 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.321 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.484 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -101.94 -62.59 1.24 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.346 0.498 . . . . 10.0 112.346 -178.517 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -108.3 -70.97 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.738 -0.665 . . . . 10.0 112.435 -177.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.5 1.06 0.8 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.647 0.61 . . . . 10.0 112.647 -178.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.799 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -142.78 -166.14 2.22 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 -179.789 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.58 HD21 ' O ' ' A' ' 62' ' ' SER . 1.9 mp -63.08 -174.07 0.07 Allowed 'General case' 0 N--CA 1.482 1.146 0 CA-C-O 122.576 1.179 . . . . 10.0 109.518 -176.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.595 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 3.4 mmmm -87.54 101.44 13.62 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 102.651 -3.092 . . . . 10.0 102.651 170.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.415 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -49.02 -5.49 0.02 OUTLIER 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 116.346 1.98 . . . . 10.0 116.346 -177.697 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.13 19.93 18.93 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 121.297 0.57 . . . . 10.0 110.08 176.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.599 ' HB3' ' OG ' ' A' ' 62' ' ' SER . . . -142.87 146.36 34.01 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 123.307 1.527 . . . . 10.0 110.407 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.467 HG23 ' CD1' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -146.7 151.78 43.34 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 111.487 -2.597 . . . . 10.0 108.716 -177.672 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.496 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 1.7 Cg_endo -45.92 120.81 3.76 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 123.514 2.809 . . . . 10.0 106.662 177.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.9 t -123.63 -10.36 7.86 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 113.325 -1.762 . . . . 10.0 109.057 178.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -95.63 6.19 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.504 -177.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.442 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 0.7 OUTLIER -40.08 -48.87 2.53 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.176 0.806 . . . . 10.0 113.176 -178.182 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 N-CA-C 109.816 -0.439 . . . . 10.0 109.816 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 . . . . . 0 N--CA 1.448 -0.558 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.479 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 2.0 t -179.33 170.41 1.37 Allowed 'General case' 0 C--O 1.239 0.503 0 O-C-N 123.406 0.441 . . . . 10.0 110.441 178.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -77.25 178.27 7.23 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 123.061 1.41 . . . . 10.0 108.07 -177.209 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 t -82.77 -13.35 56.43 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 111.509 -2.587 . . . . 10.0 110.89 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.75 166.9 18.27 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 106.037 -1.838 . . . . 10.0 106.037 176.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.415 ' CD1' ' HB2' ' A' ' 42' ' ' ARG . 15.8 p90 -101.54 100.11 10.5 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 122.25 1.024 . . . . 10.0 113.336 -175.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.78 -13.12 10.76 Favored Glycine 0 C--N 1.297 -1.617 0 C-N-CA 119.837 -1.173 . . . . 10.0 114.52 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.523 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 42.6 t -88.08 76.17 8.59 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 113.686 0.995 . . . . 10.0 113.686 -177.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 94.9 mttt -74.93 66.15 1.51 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.467 -1.679 . . . . 10.0 106.467 174.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.462 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 0.3 OUTLIER -82.24 43.65 0.81 Allowed 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 118.379 0.536 . . . . 10.0 111.607 -178.563 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -35.82 138.18 0.19 Allowed 'General case' 0 C--N 1.302 -1.458 0 O-C-N 124.624 1.202 . . . . 10.0 111.114 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.44 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -45.81 108.86 0.14 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.844 0.683 . . . . 10.0 112.844 -178.063 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 18.5 t0 -132.84 108.85 9.23 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 106.187 -1.782 . . . . 10.0 106.187 177.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -61.12 -23.27 65.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.791 0.805 . . . . 10.0 111.325 -178.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.428 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -63.7 -27.42 69.2 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.177 -1.374 . . . . 10.0 109.527 178.162 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 3.7 pttp -104.91 146.07 31.94 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 114.8 -1.091 . . . . 10.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -89.47 78.22 0.99 Allowed 'Trans proline' 0 CA--C 1.535 0.555 0 N-CA-C 117.88 2.223 . . . . 10.0 117.88 -176.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.525 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 0.9 OUTLIER -146.8 145.77 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 O-C-N 121.887 -0.508 . . . . 10.0 111.007 176.496 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.49 169.68 8.44 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.378 -0.828 . . . . 10.0 108.879 177.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.44 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -116.24 102.56 9.68 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 118.025 2.602 . . . . 10.0 118.025 -176.281 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.74 ' CE1' ' HE2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -106.25 160.36 15.4 Favored 'General case' 0 C--O 1.194 -1.862 0 N-CA-C 115.161 1.541 . . . . 10.0 115.161 -170.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.72 164.87 12.58 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 119.149 -1.02 . . . . 10.0 111.877 177.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.69 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.7 m-85 -59.44 156.39 31.38 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 118.422 0.555 . . . . 10.0 110.701 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.659 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 68.8 Cg_endo -78.02 67.76 7.99 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.823 2.349 . . . . 10.0 108.949 177.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mt -50.16 -37.52 35.01 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-N 112.44 -2.163 . . . . 10.0 115.653 -177.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.5 p -85.01 -2.0 57.46 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 108.853 -3.794 . . . . 10.0 114.057 -175.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.526 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 3.5 ttm105 -133.59 63.72 65.35 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 105.531 -2.026 . . . . 10.0 105.531 173.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.555 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 4.3 Cg_endo -46.37 -52.6 7.08 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.738 2.959 . . . . 10.0 115.458 -175.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -51.99 -45.44 64.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.053 0.454 . . . . 10.0 110.19 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.526 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 1.9 tm? -69.84 -33.36 72.18 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.104 -1.073 . . . . 10.0 108.104 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.69 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 51.3 t -63.61 -36.72 84.75 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 107.98 -1.119 . . . . 10.0 107.98 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.64 -26.18 66.1 Favored 'General case' 0 N--CA 1.424 -1.758 0 N-CA-C 113.724 1.009 . . . . 10.0 113.724 -175.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.486 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -75.91 -18.44 59.37 Favored 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 116.212 -2.195 . . . . 10.0 109.346 179.746 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.593 ' CD1' HG21 ' A' ' 77' ' ' VAL . 11.6 m0 -61.2 -29.91 70.1 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 106.326 -1.731 . . . . 10.0 106.326 177.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -56.63 -39.06 72.99 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 124.151 1.929 . . . . 10.0 111.458 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -68.07 -29.76 68.79 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 109.732 -3.395 . . . . 10.0 109.838 -175.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.88 -15.34 32.38 Favored 'General case' 0 C--N 1.309 -1.161 0 C-N-CA 120.334 -0.546 . . . . 10.0 110.338 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.502 ' C ' ' H ' ' A' ' 42' ' ' ARG . 4.9 t -91.53 43.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.172 -1.048 . . . . 10.0 108.172 175.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.06 14.37 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.533 1.309 . . . . 10.0 114.533 -178.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.701 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 28.5 tpt180 -86.27 141.59 29.16 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 122.235 -0.29 . . . . 10.0 111.191 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.701 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 27.0 ttpp -71.32 161.47 31.02 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 105.942 -1.873 . . . . 10.0 105.942 175.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.429 ' OD1' ' HG2' ' A' ' 43' ' ' LYS . 0.3 OUTLIER 58.76 36.42 24.81 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.694 -0.854 . . . . 10.0 108.694 -179.315 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.663 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 1.9 t80 -28.58 129.65 0.07 Allowed 'General case' 0 C--N 1.349 0.546 0 O-C-N 125.023 1.452 . . . . 10.0 111.968 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.663 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -57.0 -172.57 0.03 OUTLIER Pre-proline 0 C--O 1.221 -0.445 0 CA-C-N 114.343 -1.299 . . . . 10.0 110.72 178.742 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.744 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 87.4 Cg_exo -46.3 173.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.634 1.556 . . . . 10.0 111.511 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 38.3 p -81.35 -153.24 0.1 Allowed 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 103.236 -2.875 . . . . 10.0 103.236 173.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.525 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -90.11 -5.87 56.05 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 112.056 -2.338 . . . . 10.0 113.781 -174.052 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -76.52 -29.51 56.78 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 105.473 -2.047 . . . . 10.0 105.473 174.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.744 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 11.3 p -64.03 172.67 2.23 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 118.023 -1.471 . . . . 10.0 108.209 173.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.539 ' C ' HD13 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -110.78 161.45 15.77 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 114.598 -1.183 . . . . 10.0 109.399 -179.18 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.541 ' N ' HD13 ' A' ' 53' ' ' ILE . 3.0 mp -129.78 159.47 41.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 108.076 -1.083 . . . . 10.0 108.076 -175.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.597 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.5 p -106.06 157.39 17.57 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 119.658 1.117 . . . . 10.0 111.871 178.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.818 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 0.1 OUTLIER -55.84 -36.85 67.98 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 119.298 3.073 . . . . 10.0 119.298 -172.802 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.547 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -56.19 -15.04 3.21 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 113.137 0.792 . . . . 10.0 113.137 -176.595 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -86.77 -16.85 35.07 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 114.039 1.125 . . . . 10.0 114.039 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.74 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -120.34 173.81 6.91 Favored 'General case' 0 CA--C 1.497 -1.07 0 CA-C-O 121.155 0.503 . . . . 10.0 110.003 -178.848 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.78 139.5 37.59 Favored Pre-proline 0 N--CA 1.421 -1.895 0 N-CA-C 108.252 -1.018 . . . . 10.0 108.252 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.583 ' O ' ' HB2' ' A' ' 63' ' ' PHE . 6.8 Cg_endo -47.83 -32.84 18.12 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 123.096 2.531 . . . . 10.0 111.891 179.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.573 ' O ' ' HA ' ' A' ' 67' ' ' SER . 0.9 OUTLIER -57.5 -49.48 76.18 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 114.204 -1.362 . . . . 10.0 109.833 177.359 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.492 ' CB ' ' HG2' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -91.56 6.89 43.9 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 114.068 -1.424 . . . . 10.0 114.186 -174.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.818 ' CE1' ' HB3' ' A' ' 55' ' ' SER . 0.4 OUTLIER -37.7 -64.14 0.41 Allowed 'General case' 0 CA--C 1.56 1.335 0 CA-C-N 113.755 -1.566 . . . . 10.0 115.178 179.213 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.638 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -174.91 -129.45 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 119.456 1.025 . . . . 10.0 113.002 -177.774 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.569 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -55.52 -34.14 64.39 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.48 -0.762 . . . . 10.0 110.527 179.702 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 62.0 mp0 -84.7 6.45 24.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.129 -0.941 . . . . 10.0 111.261 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.775 ' OG ' ' HD2' ' A' ' 73' ' ' LYS . 4.3 t -72.3 -91.42 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.072 -0.513 . . . . 10.0 112.046 -179.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -99.93 -72.02 0.68 Allowed 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.393 0.616 . . . . 10.0 110.578 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.506 ' CG ' ' H ' ' A' ' 70' ' ' LYS . 18.7 p-10 -110.56 -65.35 1.17 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.569 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 5.3 tttt -146.44 1.8 0.83 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.659 -0.867 . . . . 10.0 108.659 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.58 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -143.09 -170.19 3.2 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.969 -1.014 . . . . 10.0 109.461 -179.52 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.659 ' CD1' ' HB3' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.27 -178.65 0.26 Allowed 'General case' 0 N--CA 1.477 0.88 0 CA-C-O 122.337 1.065 . . . . 10.0 110.241 -175.751 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.775 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 1.1 mmmm -88.4 112.2 22.63 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 104.602 -2.37 . . . . 10.0 104.602 172.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -49.93 -11.46 0.06 Allowed 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 115.358 1.614 . . . . 10.0 115.358 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.71 22.73 15.34 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.151 -0.931 . . . . 10.0 111.332 176.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.0 145.57 34.58 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 123.352 1.549 . . . . 10.0 109.777 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.593 HG21 ' CD1' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -150.67 148.85 24.45 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 111.232 -2.713 . . . . 10.0 108.046 -178.422 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.534 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 2.3 Cg_endo -46.59 121.03 4.37 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.631 2.887 . . . . 10.0 108.376 177.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 t -124.75 -10.24 7.28 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 113.961 -1.472 . . . . 10.0 110.026 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -89.26 5.04 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 115.513 -0.767 . . . . 10.0 112.553 -175.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 6.0 m-30 -40.64 -69.19 0.14 Allowed 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.623 0.971 . . . . 10.0 113.623 -177.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 120.884 0.373 . . . . 10.0 110.788 -179.255 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 . . . . . 0 N--CA 1.444 -0.765 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.522 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -179.84 173.45 1.0 Allowed 'General case' 0 C--O 1.239 0.526 0 O-C-N 123.457 0.473 . . . . 10.0 110.45 179.456 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.678 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 4.3 m -79.99 177.22 9.08 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 122.796 1.284 . . . . 10.0 107.776 -177.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.527 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 30.6 t -82.69 -1.72 52.08 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 111.414 -2.63 . . . . 10.0 110.941 -178.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.456 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . . . -57.99 -149.92 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.98 0.895 . . . . 10.0 113.148 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -113.12 72.34 0.77 Allowed 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.1 -0.704 . . . . 10.0 109.1 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.88 28.07 29.9 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.284 -0.96 . . . . 10.0 113.993 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.544 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 2.0 t -79.39 75.46 5.98 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 117.385 0.592 . . . . 10.0 112.17 -178.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.522 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 18.0 mttt -73.75 65.81 1.04 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.197 -1.038 . . . . 10.0 108.197 176.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.443 ' OD1' ' HE2' ' A' ' 18' ' ' LYS . 2.2 m-80 -93.98 26.68 3.1 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.799 -0.563 . . . . 10.0 112.044 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -23.44 133.63 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 O-C-N 124.784 1.303 . . . . 10.0 111.521 -179.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -37.9 110.45 0.13 Allowed 'General case' 0 C--N 1.349 0.552 0 CA-C-O 122.079 0.942 . . . . 10.0 111.314 -177.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.404 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 15.5 t70 -137.2 109.85 7.52 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 105.307 -2.108 . . . . 10.0 105.307 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -19.38 65.95 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.218 -0.901 . . . . 10.0 110.744 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -28.51 67.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.485 -1.234 . . . . 10.0 108.997 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.443 ' HE2' ' OD1' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -96.92 149.49 35.79 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 107.528 -1.286 . . . . 10.0 107.528 178.056 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -91.08 75.55 0.71 Allowed 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 121.381 1.387 . . . . 10.0 115.543 -177.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.478 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 2.6 m -146.35 146.32 19.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 CA-C-O 121.469 0.652 . . . . 10.0 111.514 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 p -104.14 168.4 9.13 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 114.637 -1.165 . . . . 10.0 108.764 178.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -115.31 102.21 9.65 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 117.509 2.411 . . . . 10.0 117.509 -177.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.799 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -102.06 -173.73 2.41 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 114.613 1.338 . . . . 10.0 114.613 -170.282 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -126.57 165.34 19.35 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 104.881 -2.266 . . . . 10.0 104.881 -177.231 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.706 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.5 m-85 -60.86 156.76 44.54 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 119.333 0.969 . . . . 10.0 111.179 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.59 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 78.2 Cg_endo -76.41 86.31 1.58 Allowed 'Trans proline' 0 CA--C 1.513 -0.552 0 C-N-CA 122.581 2.187 . . . . 10.0 107.282 176.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 27' ' ' LEU . 16.7 mt -69.88 -37.11 75.93 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 112.798 -2.001 . . . . 10.0 114.723 -174.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -93.01 9.14 36.97 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 113.145 -1.843 . . . . 10.0 111.272 -176.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.466 ' HD3' ' CB ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -132.99 56.77 23.72 Favored Pre-proline 0 N--CA 1.439 -1.001 0 N-CA-C 105.995 -1.854 . . . . 10.0 105.995 174.211 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.543 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 9.4 Cg_endo -49.78 -49.27 16.39 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.883 3.056 . . . . 10.0 115.219 -175.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.455 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -54.77 -43.52 72.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 118.484 0.583 . . . . 10.0 109.431 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.466 ' CB ' ' HD3' ' A' ' 29' ' ' ARG . 1.3 tm? -70.05 -34.84 73.74 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.943 -1.132 . . . . 10.0 107.943 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.706 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 49.1 t -62.48 -37.04 84.42 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 106.962 -1.496 . . . . 10.0 106.962 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.11 -25.13 66.05 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 113.568 0.951 . . . . 10.0 113.568 -176.626 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -76.68 -21.43 55.4 Favored 'General case' 0 CA--C 1.493 -1.244 0 C-N-CA 116.154 -2.218 . . . . 10.0 108.57 179.463 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.516 ' CD1' HG23 ' A' ' 77' ' ' VAL . 11.8 m0 -58.49 -28.07 65.03 Favored 'General case' 0 N--CA 1.438 -1.032 0 N-CA-C 105.762 -1.94 . . . . 10.0 105.762 177.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -54.94 -48.61 72.94 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-O 123.441 1.591 . . . . 10.0 109.573 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -54.45 -33.66 59.99 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 111.021 -2.809 . . . . 10.0 113.183 179.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.416 ' C ' ' H ' ' A' ' 41' ' ' ARG . . . -87.42 -15.42 37.8 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.639 -0.424 . . . . 10.0 110.218 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.494 HG11 ' O ' ' A' ' 6' ' ' SER . 6.8 t -89.91 45.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 106.998 -1.482 . . . . 10.0 106.998 174.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.416 ' H ' ' C ' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -55.79 13.99 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 113.42 -1.718 . . . . 10.0 115.058 -178.024 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.481 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -103.32 139.97 38.03 Favored 'General case' 0 C--N 1.316 -0.882 0 O-C-N 121.562 -0.711 . . . . 10.0 111.893 -179.016 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.608 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER -57.81 -36.28 72.01 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.252 -0.885 . . . . 10.0 109.884 179.511 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.608 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 11.0 p30 -85.47 61.41 6.84 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.614 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 7.7 t80 -56.34 124.44 18.07 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.798 -1.092 . . . . 10.0 110.186 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.678 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -64.1 -172.64 0.07 OUTLIER Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 114.076 -1.42 . . . . 10.0 110.731 179.167 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.751 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 86.6 Cg_exo -46.3 175.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.133 1.889 . . . . 10.0 112.141 178.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.4 p -82.29 -152.78 0.11 Allowed 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 104.373 -2.454 . . . . 10.0 104.373 173.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.601 ' HD3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -89.97 -3.63 57.91 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 112.353 -2.203 . . . . 10.0 113.92 -173.858 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -79.1 -30.03 43.61 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 105.638 -1.986 . . . . 10.0 105.638 174.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.751 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 11.8 p -63.31 173.38 1.56 Allowed 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 120.794 1.634 . . . . 10.0 108.457 173.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.621 ' C ' HD11 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.39 163.32 13.51 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 114.206 -1.361 . . . . 10.0 110.81 -177.751 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.621 HD11 ' C ' ' A' ' 52' ' ' SER . 3.2 mp -133.74 158.15 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 108.586 -0.894 . . . . 10.0 108.586 -176.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.662 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 14.1 p -106.13 159.99 15.66 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.643 1.111 . . . . 10.0 111.888 178.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.799 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -56.13 -36.18 67.96 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 119.114 3.005 . . . . 10.0 119.114 -172.764 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.544 ' OE2' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -55.43 -15.86 3.1 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 114.294 1.22 . . . . 10.0 114.294 -176.674 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.559 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 91.4 m-70 -86.9 -18.71 30.18 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 114.626 1.343 . . . . 10.0 114.626 -176.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.501 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -137.42 137.0 38.34 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-N 118.644 0.656 . . . . 10.0 111.263 -177.875 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.7 p -43.19 138.88 2.47 Favored Pre-proline 0 N--CA 1.433 -1.286 0 O-C-N 124.604 1.19 . . . . 10.0 111.358 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.478 ' HA ' ' CG ' ' A' ' 63' ' ' PHE . 8.8 Cg_endo -50.06 -29.28 21.42 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 122.85 2.366 . . . . 10.0 111.961 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.451 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 2.1 m-20 -59.82 -51.46 69.64 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 113.815 -1.539 . . . . 10.0 107.55 174.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.588 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -89.1 6.54 39.41 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 113.935 1.087 . . . . 10.0 113.935 -175.002 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.478 ' CG ' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -40.73 -59.05 1.49 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.753 -1.112 . . . . 10.0 113.795 179.372 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.474 ' HE3' ' OE2' ' A' ' 66' ' ' GLU . 29.2 pttt -173.74 -142.72 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -176.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.415 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -57.12 -12.98 2.49 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.515 0.932 . . . . 10.0 113.515 -178.8 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.474 ' OE2' ' HE3' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -82.95 5.45 21.94 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.209 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.814 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 3.0 t -71.42 -106.16 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.835 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.445 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -98.74 -71.51 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.942 0.401 . . . . 10.0 111.311 -177.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -103.5 -70.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.169 -0.468 . . . . 10.0 111.204 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -145.14 1.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.386 0.513 . . . . 10.0 112.386 -177.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.814 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -140.8 -165.51 1.96 Allowed 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 118.493 -0.765 . . . . 10.0 110.163 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.59 ' CD1' ' HB3' ' A' ' 26' ' ' PRO . 3.2 mp -62.47 -172.01 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 123.063 1.411 . . . . 10.0 110.637 -175.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.631 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 5.1 mmmm -87.92 101.98 14.26 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 102.795 -3.039 . . . . 10.0 102.795 170.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.46 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -48.23 -7.42 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 116.308 1.966 . . . . 10.0 116.308 -178.136 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.56 16.38 22.25 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-O 121.012 0.434 . . . . 10.0 110.973 175.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.434 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -137.63 147.47 44.99 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 123.218 1.485 . . . . 10.0 110.171 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.516 HG23 ' CD1' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -148.79 151.22 34.82 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 111.364 -2.653 . . . . 10.0 108.549 -177.449 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.559 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 2.8 Cg_endo -49.17 123.06 9.45 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.84 2.36 . . . . 10.0 107.258 176.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -124.71 -9.47 7.31 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 113.626 -1.625 . . . . 10.0 108.805 176.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.48 HD13 HG22 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -91.54 6.81 5.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.673 -175.719 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.508 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 2.2 m-30 -39.72 -46.13 1.83 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.943 1.09 . . . . 10.0 113.943 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 . . . . . 0 C--O 1.236 0.385 0 N-CA-C 110.679 -0.119 . . . . 10.0 110.679 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.564 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 3.2 t -179.06 168.35 1.57 Allowed 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 121.229 0.538 . . . . 10.0 111.573 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.472 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -77.77 160.35 28.44 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 107.017 -1.475 . . . . 10.0 107.017 -176.399 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.588 ' HA ' ' HB3' ' A' ' 46' ' ' LYS . 1.5 m -69.22 3.71 2.04 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 113.252 -1.795 . . . . 10.0 113.147 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.415 ' HA ' ' CE2' ' A' ' 81' ' ' PHE . . . -59.09 -146.23 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 121.742 0.782 . . . . 10.0 110.364 176.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.429 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 10.9 p90 -135.68 68.99 1.44 Allowed 'General case' 0 C--N 1.31 -1.147 0 O-C-N 120.649 -1.282 . . . . 10.0 108.375 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.48 6.49 8.02 Favored Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 118.57 -1.776 . . . . 10.0 115.144 178.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.514 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 49.5 t -91.21 73.33 6.25 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 113.374 0.879 . . . . 10.0 113.374 -177.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.564 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 8.5 mmmt -73.53 65.82 0.96 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.606 -1.257 . . . . 10.0 107.606 176.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.09 35.04 0.85 Allowed 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.719 -0.613 . . . . 10.0 111.851 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -24.81 135.7 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 O-C-N 124.929 1.393 . . . . 10.0 112.404 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.589 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -40.2 112.09 0.25 Allowed 'General case' 0 N--CA 1.478 0.96 0 CA-C-O 121.754 0.787 . . . . 10.0 110.842 -178.268 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 15.4 t0 -133.57 106.2 7.29 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 107.25 -1.389 . . . . 10.0 107.25 177.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -59.16 -15.4 14.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.843 0.83 . . . . 10.0 111.013 179.862 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.404 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 11.1 m-20 -76.92 -24.19 52.45 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.557 -1.201 . . . . 10.0 109.35 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -101.99 150.31 37.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 107.502 -1.296 . . . . 10.0 107.502 179.216 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -90.73 74.06 0.95 Allowed 'Trans proline' 0 N--CA 1.46 -0.5 0 N-CA-C 115.898 1.461 . . . . 10.0 115.898 -178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.53 ' HA ' ' HG ' ' A' ' 55' ' ' SER . 0.9 OUTLIER -146.39 149.24 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-O 121.242 0.544 . . . . 10.0 112.162 176.806 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 p -111.66 169.3 8.92 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 108.168 -1.049 . . . . 10.0 108.168 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.589 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -113.7 103.76 11.55 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 117.503 2.409 . . . . 10.0 117.503 -176.143 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.759 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.76 159.2 16.67 Favored 'General case' 0 C--O 1.199 -1.598 0 N-CA-C 114.645 1.35 . . . . 10.0 114.645 -171.503 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 12.2 mtmm -95.01 165.48 12.41 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 118.289 -1.364 . . . . 10.0 111.266 178.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.704 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 2.2 m-85 -58.24 157.98 15.49 Favored Pre-proline 0 N--CA 1.469 0.496 0 CA-C-N 118.812 0.733 . . . . 10.0 111.254 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.567 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 98.5 Cg_endo -74.51 85.6 1.43 Allowed 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.887 2.391 . . . . 10.0 107.56 176.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 27' ' ' LEU . 17.5 mt -70.29 -34.83 73.23 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 112.351 -2.204 . . . . 10.0 114.999 -173.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 p -93.65 8.78 39.59 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 113.521 -1.672 . . . . 10.0 111.745 -176.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.51 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 3.8 ttm105 -135.03 63.22 56.54 Favored Pre-proline 0 N--CA 1.445 -0.715 0 N-CA-C 106.059 -1.83 . . . . 10.0 106.059 173.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.427 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.5 Cg_endo -50.19 -50.75 12.55 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.512 2.808 . . . . 10.0 114.324 -175.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -48.17 51.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.416 0.627 . . . . 10.0 109.346 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.51 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 2.2 tm? -69.17 -34.6 75.21 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.92 -1.036 . . . . 10.0 109.101 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.704 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 17.0 t -62.39 -36.75 83.27 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 107.893 -1.151 . . . . 10.0 107.893 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -68.89 -24.75 64.36 Favored 'General case' 0 N--CA 1.424 -1.742 0 N-CA-C 113.442 0.905 . . . . 10.0 113.442 -175.837 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.7 OUTLIER -74.96 -24.62 58.49 Favored 'General case' 0 CA--C 1.494 -1.18 0 C-N-CA 115.557 -2.457 . . . . 10.0 108.873 178.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.537 ' CD1' HG21 ' A' ' 77' ' ' VAL . 11.0 m0 -57.64 -29.71 64.79 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 105.281 -2.118 . . . . 10.0 105.281 177.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -53.99 -50.72 65.93 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 124.115 1.912 . . . . 10.0 110.085 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.85 -33.95 62.36 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 109.944 -3.298 . . . . 10.0 112.522 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.29 -13.9 42.39 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 120.174 -0.61 . . . . 10.0 110.829 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 40' ' ' VAL . 9.9 t -92.75 33.33 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-O 122.028 0.918 . . . . 10.0 108.527 173.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.05 13.6 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.523 1.675 . . . . 10.0 115.523 -176.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -81.24 157.44 25.19 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 121.549 -0.719 . . . . 10.0 110.939 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -57.08 -51.51 68.99 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.307 0.575 . . . . 10.0 110.239 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.17 64.89 8.82 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.605 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.637 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 1.1 t80 -52.46 118.69 3.76 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 177.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.637 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 1.2 tttp -63.02 -170.93 0.04 OUTLIER Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.503 1.121 . . . . 10.0 110.949 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.491 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 51.3 Cg_exo -43.67 175.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 123.019 2.479 . . . . 10.0 114.309 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.5 p -84.81 -153.62 0.16 Allowed 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 102.773 -3.047 . . . . 10.0 102.773 172.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.555 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.28 -4.28 57.25 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 111.222 -2.717 . . . . 10.0 113.983 -173.293 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -80.1 -29.04 38.98 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 105.578 -2.008 . . . . 10.0 105.578 174.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.491 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 0.9 OUTLIER -65.25 171.24 3.94 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 120.477 1.489 . . . . 10.0 108.843 174.003 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -109.77 161.18 15.67 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.016 -0.993 . . . . 10.0 109.802 -178.213 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.508 HD11 ' N ' ' A' ' 53' ' ' ILE . 4.2 mp -129.02 156.58 41.73 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 CA-C-N 113.956 -1.475 . . . . 10.0 108.627 -175.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.566 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 12.9 p -105.26 154.42 20.27 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.742 0.782 . . . . 10.0 110.279 178.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.759 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -55.38 -35.35 65.19 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 119.228 3.047 . . . . 10.0 119.228 -172.034 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.514 ' OE2' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -55.98 -15.61 3.72 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 113.767 1.025 . . . . 10.0 113.767 -177.339 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.519 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 89.3 m-70 -80.79 -18.7 46.75 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 114.214 1.19 . . . . 10.0 114.214 -177.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.19 133.55 33.41 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 -178.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.3 p -39.48 140.01 0.82 Allowed Pre-proline 0 CA--C 1.499 -0.986 0 O-C-N 124.969 1.418 . . . . 10.0 110.86 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -51.23 -29.9 31.09 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.514 2.143 . . . . 10.0 111.971 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.416 ' OD2' ' HB ' ' A' ' 59' ' ' THR . 0.9 OUTLIER -61.39 -49.44 76.91 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 105.451 -2.055 . . . . 10.0 105.451 174.108 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.819 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 4.1 m -82.68 6.37 18.14 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 115.607 1.706 . . . . 10.0 115.607 -173.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.41 ' HD1' ' HA ' ' A' ' 63' ' ' PHE . 1.0 OUTLIER -44.87 -76.07 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 114.291 -1.322 . . . . 10.0 114.417 179.585 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.471 ' HZ1' ' CD ' ' A' ' 66' ' ' GLU . 5.0 pttp -166.92 -141.5 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.261 1.208 . . . . 10.0 114.261 -176.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.442 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -50.29 -18.86 0.68 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.081 1.352 . . . . 10.0 114.186 -177.889 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.471 ' CD ' ' HZ1' ' A' ' 64' ' ' LYS . 19.7 mp0 -77.35 5.93 7.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.068 0.461 . . . . 10.0 109.794 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.835 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 13.7 t -66.37 -111.91 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.331 -0.85 . . . . 10.0 112.222 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.438 ' N ' ' HG ' ' A' ' 67' ' ' SER . 3.1 m120 -100.46 -67.58 0.85 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.941 0.348 . . . . 10.0 111.941 -178.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.421 ' CG ' ' N ' ' A' ' 70' ' ' LYS . 1.4 p-10 -103.4 -66.35 0.95 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 120.473 -0.491 . . . . 10.0 112.279 -179.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.421 ' N ' ' CG ' ' A' ' 69' ' ' ASN . 26.3 mmtm -147.95 -2.41 0.54 Allowed 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 113.864 1.061 . . . . 10.0 113.864 -177.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.835 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -140.87 -159.21 0.93 Allowed 'General case' 0 C--O 1.207 -1.184 0 C-N-CA 120.094 -0.643 . . . . 10.0 111.215 -177.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.567 ' CD1' ' HB3' ' A' ' 26' ' ' PRO . 1.2 mp -70.61 -167.49 0.19 Allowed 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 123.431 1.586 . . . . 10.0 110.302 -177.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.819 ' CD ' ' HA ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -90.13 102.84 15.55 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 111.68 -2.509 . . . . 10.0 105.212 172.286 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.472 ' HB2' ' NE ' ' A' ' 29' ' ' ARG . 4.4 tt0 -47.08 -10.14 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 115.903 1.816 . . . . 10.0 115.903 -179.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -109.46 18.74 20.06 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.567 -0.742 . . . . 10.0 111.859 175.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 73' ' ' LYS . . . -141.58 148.35 39.13 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 123.82 1.771 . . . . 10.0 110.845 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.537 HG21 ' CD1' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -152.8 150.04 23.56 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 110.075 -3.239 . . . . 10.0 108.96 -176.617 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.525 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 0.9 OUTLIER -44.92 124.74 6.03 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.904 3.069 . . . . 10.0 108.764 176.809 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.6 p -124.73 -11.78 7.19 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 113.754 -1.566 . . . . 10.0 110.067 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.409 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 1.7 mm -90.46 9.15 3.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 115.579 -0.737 . . . . 10.0 112.363 -174.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.519 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 3.1 m-30 -38.89 -40.87 0.69 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.376 1.251 . . . . 10.0 114.376 -177.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.429 ' HB2' ' CE1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 CA-C-O 120.821 0.343 . . . . 10.0 110.576 179.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 108.847 -0.797 . . . . 10.0 108.847 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.56 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -177.51 168.68 2.22 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.206 -0.906 . . . . 10.0 110.921 178.746 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 3.8 m -78.57 175.44 10.36 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 123.052 1.406 . . . . 10.0 107.923 -177.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.579 ' O ' HG11 ' A' ' 40' ' ' VAL . 33.0 t -81.36 -3.83 53.88 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 111.685 -2.507 . . . . 10.0 111.461 -178.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.48 -148.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.825 0.821 . . . . 10.0 112.839 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -114.71 68.78 0.7 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.91 36.52 7.71 Favored Glycine 0 N--CA 1.435 -1.416 0 C-N-CA 119.834 -1.174 . . . . 10.0 114.988 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.542 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 4.5 t -90.04 75.52 7.11 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.591 0.71 . . . . 10.0 112.349 -178.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.56 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 17.4 mttt -72.93 60.73 0.54 Allowed 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 177.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.439 ' OD1' ' HE2' ' A' ' 18' ' ' LYS . 1.1 m-80 -90.31 30.39 1.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.706 -0.621 . . . . 10.0 111.163 -179.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -27.14 135.91 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 O-C-N 124.963 1.414 . . . . 10.0 111.174 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -43.28 111.01 0.23 Allowed 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 122.269 1.033 . . . . 10.0 111.65 -176.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.625 ' OD2' ' HB2' ' A' ' 17' ' ' ASP . 24.8 t70 -134.66 112.08 10.51 Favored 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 104.955 -2.239 . . . . 10.0 104.955 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -17.1 62.05 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.704 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.625 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . 2.8 m-20 -72.46 -25.93 61.63 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.361 -1.29 . . . . 10.0 109.566 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -98.14 145.64 30.15 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 108.267 -1.012 . . . . 10.0 108.267 178.868 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -89.07 75.75 1.44 Allowed 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 121.868 1.712 . . . . 10.0 116.299 -177.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.411 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 1.7 m -147.97 148.24 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-O 121.611 0.72 . . . . 10.0 111.388 177.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.0 p -105.7 168.61 8.99 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 115.016 -0.993 . . . . 10.0 108.839 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.42 102.16 9.57 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 118.231 2.678 . . . . 10.0 118.231 -177.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.789 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -99.76 -174.27 2.66 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.764 -1.21 . . . . 10.0 114.201 -170.053 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -127.96 165.56 20.02 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 105.347 -2.094 . . . . 10.0 105.347 -177.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.734 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.6 m-85 -60.0 152.31 61.16 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 119.258 0.935 . . . . 10.0 111.062 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HD3' ' CH2' ' A' ' 36' ' ' TRP . 74.1 Cg_endo -76.66 67.08 7.35 Favored 'Trans proline' 0 CA--C 1.516 -0.381 0 C-N-CA 122.949 2.433 . . . . 10.0 108.326 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.548 HD22 ' HG3' ' A' ' 49' ' ' LYS . 7.7 mt -49.66 -36.78 25.96 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-O 124.515 2.102 . . . . 10.0 114.817 -177.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.0 p -88.07 -1.93 58.3 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 109.49 -3.505 . . . . 10.0 113.48 -176.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.523 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -128.18 61.51 53.22 Favored Pre-proline 0 N--CA 1.442 -0.844 0 N-CA-C 105.506 -2.035 . . . . 10.0 105.506 174.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.492 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 8.4 Cg_endo -48.71 -56.41 3.18 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 124.225 3.283 . . . . 10.0 116.504 -174.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.84 -40.07 69.23 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.596 HD22 ' O ' ' A' ' 76' ' ' ALA . 1.2 tm? -71.86 -33.86 68.76 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.738 -1.208 . . . . 10.0 107.738 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.734 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 18.6 t -64.61 -37.13 86.53 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 106.965 -1.494 . . . . 10.0 106.965 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -68.68 -24.0 64.45 Favored 'General case' 0 N--CA 1.417 -2.079 0 N-CA-C 113.413 0.894 . . . . 10.0 113.413 -175.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.479 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 1.2 pt-20 -77.29 -18.21 57.73 Favored 'General case' 0 CA--C 1.495 -1.16 0 C-N-CA 116.535 -2.066 . . . . 10.0 109.029 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.683 ' O ' HG22 ' A' ' 40' ' ' VAL . 11.9 m0 -61.59 -28.4 69.33 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 106.284 -1.747 . . . . 10.0 106.284 177.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -57.7 -39.99 78.46 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-O 124.006 1.86 . . . . 10.0 111.409 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -69.57 -29.33 66.86 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 109.727 -3.397 . . . . 10.0 109.758 -174.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.6 -14.15 38.24 Favored 'General case' 0 C--N 1.306 -1.299 0 C-N-CA 120.216 -0.594 . . . . 10.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 36' ' ' TRP . 8.8 t -93.82 36.14 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-O 122.105 0.955 . . . . 10.0 108.829 174.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.38 13.31 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 116.644 2.09 . . . . 10.0 116.644 -178.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.445 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -94.07 147.46 23.12 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 119.089 0.859 . . . . 10.0 111.403 -179.613 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.3 tttt -53.56 -46.98 70.46 Favored 'General case' 0 CA--C 1.508 -0.668 0 O-C-N 123.755 0.659 . . . . 10.0 111.268 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.66 66.31 9.5 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 115.007 -0.997 . . . . 10.0 110.16 -179.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.544 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 5.4 t80 -55.17 118.39 4.32 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.298 -0.865 . . . . 10.0 109.173 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.567 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -57.51 -172.58 0.03 OUTLIER Pre-proline 0 CA--C 1.551 1.001 0 CA-C-N 114.576 -1.193 . . . . 10.0 111.311 178.814 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.763 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 84.2 Cg_exo -44.74 175.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 C-N-CA 122.237 1.958 . . . . 10.0 112.931 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.2 p -81.88 -155.79 0.14 Allowed 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 103.745 -2.687 . . . . 10.0 103.745 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.548 ' HG3' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -89.33 -2.85 58.59 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 111.589 -2.55 . . . . 10.0 113.619 -173.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -78.67 -31.11 46.56 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 105.12 -2.178 . . . . 10.0 105.12 174.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.763 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 10.2 p -62.52 173.24 1.29 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 121.205 1.821 . . . . 10.0 109.052 175.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.552 ' C ' HD11 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.77 162.38 14.52 Favored 'General case' 0 N--CA 1.429 -1.509 0 CA-C-N 114.189 -1.369 . . . . 10.0 110.829 -177.527 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.552 HD11 ' C ' ' A' ' 52' ' ' SER . 3.4 mp -131.48 156.51 42.7 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.658 0 CA-C-N 115.066 -0.97 . . . . 10.0 108.534 -175.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.698 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 14.2 p -105.94 161.69 14.24 Favored 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 119.641 1.11 . . . . 10.0 112.23 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.789 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.3 p -59.45 -34.96 73.17 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 119.278 3.066 . . . . 10.0 119.278 -171.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.551 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -56.85 -14.58 3.58 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 114.366 1.247 . . . . 10.0 114.366 -176.736 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.555 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 90.8 m-70 -87.27 -15.84 36.93 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 115.099 1.518 . . . . 10.0 115.099 -176.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.448 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -138.16 141.28 40.09 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 119.795 -0.762 . . . . 10.0 111.176 -177.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 p -45.64 137.42 5.61 Favored Pre-proline 0 N--CA 1.423 -1.777 0 CA-C-N 114.271 -1.331 . . . . 10.0 110.12 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.49 ' HA ' ' CD1' ' A' ' 63' ' ' PHE . 8.0 Cg_endo -48.83 -30.1 16.46 Favored 'Trans proline' 0 C--N 1.318 -1.035 0 C-N-CA 123.481 2.787 . . . . 10.0 112.33 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.618 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 7.0 m-20 -62.35 -46.65 87.74 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 113.443 -1.708 . . . . 10.0 108.049 176.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.627 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -91.92 7.08 43.72 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 113.761 1.023 . . . . 10.0 113.761 -175.692 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.49 ' CD1' ' HA ' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -40.48 -58.98 1.44 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.42 -1.264 . . . . 10.0 113.276 179.021 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.406 ' HB2' ' H ' ' A' ' 65' ' ' ARG . 10.2 pttp -174.11 -136.54 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 112.919 0.711 . . . . 10.0 112.919 -178.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.406 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 1.1 ptm180 -62.95 -16.86 60.94 Favored 'General case' 0 C--N 1.342 0.274 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -177.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -83.35 7.23 17.25 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.918 0.389 . . . . 10.0 110.254 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.808 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 1.8 t -67.76 -103.87 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.694 -0.685 . . . . 10.0 111.625 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.445 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.2 OUTLIER -99.37 -71.57 0.69 Allowed 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 120.884 0.373 . . . . 10.0 110.757 -179.25 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -100.89 -70.98 0.72 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.67 -0.696 . . . . 10.0 112.107 -178.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.64 2.66 0.95 Allowed 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 112.56 0.578 . . . . 10.0 112.56 -178.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.808 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -144.86 -164.84 2.01 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.944 -0.762 . . . . 10.0 108.944 179.359 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.627 HD21 ' O ' ' A' ' 62' ' ' SER . 4.0 mp -63.18 -172.27 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 123.488 1.613 . . . . 10.0 109.744 -176.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.733 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -90.64 103.87 16.52 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 104.413 -2.44 . . . . 10.0 104.413 170.477 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.523 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -51.44 -4.26 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 115.622 1.712 . . . . 10.0 115.622 -179.004 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.431 ' H ' ' C ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -108.95 18.17 20.96 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.216 -0.902 . . . . 10.0 110.534 175.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.596 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -144.36 150.64 38.1 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 122.902 1.334 . . . . 10.0 109.936 -179.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 79' ' ' THR . 0.1 OUTLIER -152.45 151.15 26.64 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 111.933 -2.394 . . . . 10.0 109.464 -177.447 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.577 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 2.2 Cg_endo -46.43 120.41 3.81 Favored 'Trans proline' 0 C--N 1.362 1.281 0 C-N-CA 123.505 2.803 . . . . 10.0 105.764 176.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 77' ' ' VAL . 21.9 p -123.65 -10.6 7.83 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 113.609 -1.632 . . . . 10.0 110.162 177.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -91.38 4.9 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.674 -0.693 . . . . 10.0 110.97 -176.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.411 ' HD1' ' ND1' ' A' ' 57' ' ' HIS . 1.6 m-30 -38.39 -49.26 1.43 Allowed 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 113.779 1.029 . . . . 10.0 113.779 -177.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 CA--C 1.513 -0.445 0 O-C-N 123.273 0.358 . . . . 10.0 110.227 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 109.646 -0.501 . . . . 10.0 109.646 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.661 HG22 H2'' ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -70.04 -45.37 76.62 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.762 0 N-CA-C 108.755 -0.831 . . . . 10.0 108.755 178.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.702 ' NE2' ' H71' ' C' ' 20' ' ' ' DT' . 14.9 mt-30 -52.89 -47.42 67.91 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 114.071 -1.422 . . . . 10.0 109.4 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.512 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -177.34 165.37 2.23 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.516 0.51 . . . . 10.0 110.335 178.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.0 m -78.89 174.68 11.26 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-O 122.903 1.335 . . . . 10.0 107.723 -176.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.488 ' O ' HG11 ' A' ' 40' ' ' VAL . 6.7 t -80.08 -0.62 36.45 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 111.419 -2.628 . . . . 10.0 110.938 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.8 -150.07 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 122.01 0.909 . . . . 10.0 113.14 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -114.25 68.55 0.69 Allowed 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 108.49 -0.93 . . . . 10.0 108.49 -178.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.41 34.48 7.98 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.566 -0.826 . . . . 10.0 114.532 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.1 t -86.31 76.1 9.73 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.512 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 4.0 mmtp -74.91 61.75 1.06 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 176.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -93.22 24.92 3.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 118.952 -0.546 . . . . 10.0 111.696 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -24.98 136.6 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 O-C-N 124.561 1.163 . . . . 10.0 111.724 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -36.77 107.01 0.05 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 122.132 0.967 . . . . 10.0 112.686 -176.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.501 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 8.6 t0 -131.75 108.02 9.17 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 105.571 -2.011 . . . . 10.0 105.571 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -18.88 47.44 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.408 -1.269 . . . . 10.0 111.403 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.501 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -73.64 -24.55 60.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.147 -0.933 . . . . 10.0 109.383 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.479 ' HZ2' ' HB3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -102.59 133.41 20.5 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 114.587 -1.188 . . . . 10.0 108.695 179.705 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.81 75.84 4.59 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 121.463 1.442 . . . . 10.0 115.561 -177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 m -143.06 144.2 24.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 121.349 0.595 . . . . 10.0 111.912 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.55 169.7 8.31 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.01 -0.996 . . . . 10.0 108.89 178.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -118.43 102.38 8.88 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 118.163 2.653 . . . . 10.0 118.163 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.77 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.85 159.81 16.23 Favored 'General case' 0 C--O 1.195 -1.8 0 N-CA-C 115.18 1.548 . . . . 10.0 115.18 -171.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 14.3 mtpt -95.23 165.75 12.24 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.022 -1.071 . . . . 10.0 110.956 177.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.714 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.17 157.47 16.69 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 118.685 0.675 . . . . 10.0 110.625 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.548 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 54.8 Cg_endo -78.43 67.51 8.27 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.638 2.225 . . . . 10.0 107.978 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 mt -48.08 -38.69 18.12 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 112.496 -2.138 . . . . 10.0 115.417 -177.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.7 p -87.42 0.08 56.02 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 109.14 -3.664 . . . . 10.0 113.546 -175.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.492 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.78 61.09 57.4 Favored Pre-proline 0 N--CA 1.448 -0.57 0 N-CA-C 105.782 -1.933 . . . . 10.0 105.782 174.881 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.431 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 8.5 Cg_endo -49.26 -51.27 10.96 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.705 2.937 . . . . 10.0 115.237 -174.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.74 -48.23 63.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.22 0.533 . . . . 10.0 109.597 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.46 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . 1.5 tm? -71.25 -30.66 66.59 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.808 -0.812 . . . . 10.0 108.808 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.714 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 19.7 t -63.91 -37.25 86.72 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.505 -1.295 . . . . 10.0 107.505 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -25.92 65.19 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-N 114.879 -1.055 . . . . 10.0 113.597 -176.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -74.74 -22.63 58.7 Favored 'General case' 0 CA--C 1.494 -1.204 0 C-N-CA 115.995 -2.282 . . . . 10.0 108.434 178.789 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.69 ' O ' HG22 ' A' ' 40' ' ' VAL . 11.8 m0 -57.25 -29.52 63.88 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 105.665 -1.976 . . . . 10.0 105.665 178.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -55.23 -49.33 72.26 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 123.73 1.729 . . . . 10.0 110.067 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -55.66 -35.4 65.94 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 110.401 -3.09 . . . . 10.0 112.29 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.7 -15.8 38.44 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 120.117 -0.633 . . . . 10.0 110.413 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 36' ' ' TRP . 25.7 t -91.88 46.03 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 108.164 -1.05 . . . . 10.0 108.164 174.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.24 13.31 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.095 1.146 . . . . 10.0 114.095 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.481 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -72.66 131.8 42.88 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 122.143 -0.348 . . . . 10.0 110.065 179.494 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -52.69 -54.1 38.27 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.418 0.628 . . . . 10.0 110.208 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.14 67.74 10.29 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 108.314 -0.995 . . . . 10.0 108.314 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.639 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 1.8 t80 -44.85 122.2 3.12 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.272 -0.876 . . . . 10.0 110.75 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.639 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -58.94 -171.1 0.03 OUTLIER Pre-proline 0 CA--C 1.544 0.747 0 CA-C-N 113.975 -1.466 . . . . 10.0 110.731 178.049 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.716 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 94.5 Cg_exo -45.43 176.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 122.55 2.167 . . . . 10.0 112.232 178.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.491 HG22 " C2'" ' C' ' 21' ' ' ' DG' . 31.0 p -83.72 -154.47 0.16 Allowed 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 103.651 -2.722 . . . . 10.0 103.651 172.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.75 -2.19 57.82 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 112.493 -2.14 . . . . 10.0 113.858 -174.088 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.708 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 82.5 m-85 -77.84 -31.58 51.66 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 105.268 -2.123 . . . . 10.0 105.268 174.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.716 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 8.9 p -63.21 173.58 1.44 Allowed 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 120.78 1.627 . . . . 10.0 109.215 174.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.631 ' C ' HD11 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.35 164.13 12.76 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 114.854 -1.066 . . . . 10.0 110.695 -178.322 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.631 HD11 ' C ' ' A' ' 52' ' ' SER . 3.0 mp -132.21 157.01 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 107.593 -1.262 . . . . 10.0 107.593 -176.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.57 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 15.2 p -106.64 153.88 21.74 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 119.805 1.184 . . . . 10.0 111.868 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.77 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 2.7 p -47.17 -40.04 15.06 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 118.634 2.827 . . . . 10.0 118.634 -173.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -16.02 2.71 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 114.665 1.357 . . . . 10.0 114.665 -176.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.488 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 94.3 m-70 -84.96 -16.5 40.74 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 114.586 1.328 . . . . 10.0 114.586 -177.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.584 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -125.4 174.16 8.37 Favored 'General case' 0 CA--C 1.499 -1.006 0 C-N-CA 120.256 -0.578 . . . . 10.0 110.17 -179.007 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.491 ' HB ' ' OD1' ' A' ' 61' ' ' ASP . 0.8 OUTLIER -79.87 139.9 54.05 Favored Pre-proline 0 N--CA 1.424 -1.76 0 N-CA-C 108.723 -0.843 . . . . 10.0 108.723 179.025 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.595 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 6.7 Cg_endo -48.7 -33.17 23.8 Favored 'Trans proline' 0 C--N 1.331 -0.389 0 C-N-CA 123.299 2.666 . . . . 10.0 112.191 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.512 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -58.17 -47.2 84.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.222 -1.354 . . . . 10.0 109.427 177.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.548 ' CB ' ' HG2' ' A' ' 73' ' ' LYS . 2.5 t -93.06 4.62 53.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.18 -1.373 . . . . 10.0 114.419 -175.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.595 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -34.47 -55.66 0.53 Allowed 'General case' 0 C--N 1.317 -0.81 0 O-C-N 124.402 1.064 . . . . 10.0 113.87 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.571 ' HG3' ' OE1' ' A' ' 66' ' ' GLU . 15.7 pttp -175.95 -135.39 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.254 0.464 . . . . 10.0 112.254 -178.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.428 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -59.73 -14.65 15.26 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -178.321 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.571 ' OE1' ' HG3' ' A' ' 64' ' ' LYS . 24.4 mp0 -84.06 5.55 25.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.916 0.389 . . . . 10.0 110.309 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.813 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 1.7 t -68.72 -103.2 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.96 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.463 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.6 OUTLIER -101.74 -67.91 0.84 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.886 0.374 . . . . 10.0 111.921 -179.115 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -106.26 -70.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -144.32 1.54 1.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.405 0.52 . . . . 10.0 112.405 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.813 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -141.95 -164.96 1.9 Allowed 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 118.417 -0.801 . . . . 10.0 109.626 179.819 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.548 ' CD1' ' HB3' ' A' ' 26' ' ' PRO . 3.4 mp -64.54 -174.48 0.13 Allowed 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 122.433 1.111 . . . . 10.0 109.989 -176.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.721 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -88.86 103.87 16.4 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 104.085 -2.561 . . . . 10.0 104.085 171.06 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.492 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -49.28 -5.99 0.02 OUTLIER 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 116.508 2.04 . . . . 10.0 116.508 -177.449 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.8 20.25 18.25 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 121.472 0.653 . . . . 10.0 110.534 175.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -139.88 142.88 36.5 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 123.497 1.618 . . . . 10.0 109.125 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.667 HG23 ' CD1' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -149.31 147.46 23.51 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 110.905 -2.861 . . . . 10.0 108.356 -178.107 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.524 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 1.7 Cg_endo -44.23 120.59 2.62 Favored 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 123.885 3.057 . . . . 10.0 108.355 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.41 -11.38 8.34 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 113.662 -1.608 . . . . 10.0 109.281 177.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.411 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.8 OUTLIER -92.49 6.22 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.018 -176.755 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.488 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.4 m-30 -40.7 -50.08 3.08 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.304 0.854 . . . . 10.0 113.304 -178.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -173.8 155.22 2.58 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.541 0.525 . . . . 10.0 110.124 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -68.08 -69.21 0.33 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.822 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.17 -69.85 0.38 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.177 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.4 p -157.49 133.24 5.88 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 110.162 -0.31 . . . . 10.0 110.162 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -74.38 162.84 37.55 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.606 2.204 . . . . 10.0 111.872 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.401 ' HD3' ' O ' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 119.216 -0.421 . . . . 10.0 110.86 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.883 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.561 0 O4'-C1'-C2' 106.953 0.776 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.883 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.986 0 O4'-C1'-N19 108.994 1.492 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.896 " C2'" ' H72' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 O4'-C1'-N19 108.868 1.335 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.896 ' H72' " C2'" ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-C2' 107.333 1.121 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.582 H2'' ' C7 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 O4'-C1'-N19 108.56 0.95 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.596 " H1'" ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 O4'-C1'-N19 108.67 1.088 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.651 " C2'" ' C7 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.66 0 O4'-C1'-N19 109.515 2.144 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.651 ' C7 ' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C5'-C4'-C3' 113.138 -1.041 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.504 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.236 0 O4'-C1'-N19 109.565 2.206 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.661 H2'' HG22 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.42 -1.275 0 O4'-C1'-N19 109.728 2.41 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.418 ' OP2' H2'' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 O3'-P-O5' 100.789 -1.69 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.418 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-C2' 107.038 0.853 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.568 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C2'-C3'-O3' 112.819 0.822 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.828 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C1'-C2' 107.084 0.895 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.035 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 1.024 0 O4'-C1'-N19 109.534 2.167 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.035 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.452 2.445 2 N19-C1'-C2' 103.326 -6.796 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.583 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C1'-N19 109.09 1.613 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.709 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.638 0 O4'-C1'-C2' 107.318 1.108 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.924 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C4'-C3'-C2' 102.38 -0.82 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.924 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-C2' 107.419 1.199 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.491 " C2'" HG22 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-C2' 107.165 0.968 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.658 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.417 -1.442 0 O4'-C1'-N19 109.247 1.809 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.708 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 P-O5'-C5' 118.128 -1.732 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.418 ' OP2' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 O4'-C1'-N19 108.694 1.117 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . 0.469 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 O4'-C1'-N19 108.915 1.393 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.525 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-N19 109.045 1.556 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.581 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 O4'-C4'-C3' 104.648 -0.952 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.581 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 O4'-C1'-C2' 107.128 0.935 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.55 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-N19 108.736 1.17 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.508 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C4'-C3' 104.576 -1.024 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.508 ' C8 ' H2'' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 O4'-C1'-C2' 107.193 0.993 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.493 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 106.996 0.815 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.51 ' HA ' ' OG ' ' A' ' 52' ' ' SER . 3.1 mpp? . . . . . 0 N--CA 1.486 1.336 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.565 HG11 " H2'" ' B' ' 10' ' ' ' DG' . 3.1 m -68.81 -34.99 67.48 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 O-C-N 123.15 0.281 . . . . 10.0 110.526 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -54.39 -57.43 11.33 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.512 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 1.3 t -177.78 166.35 2.1 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.708 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 30.9 m -80.48 177.64 8.86 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 123.356 1.551 . . . . 10.0 108.39 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.604 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 16.9 t -81.82 -3.64 54.47 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 110.873 -2.876 . . . . 10.0 110.582 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.34 -149.74 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.508 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -111.05 68.12 0.66 Allowed 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 -178.184 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.08 34.71 13.97 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.696 -0.684 . . . . 10.0 113.66 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.446 ' O ' ' SG ' ' A' ' 10' ' ' CYS . 2.1 t -82.26 76.71 9.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.467 0.633 . . . . 10.0 112.504 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.512 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 18.0 mmtt -73.14 59.46 0.54 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 176.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -93.57 30.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.383 -0.823 . . . . 10.0 112.097 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.483 ' HA ' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -22.66 134.56 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.374 0 O-C-N 124.902 1.376 . . . . 10.0 111.631 179.529 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.5 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -42.03 113.57 0.45 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-O 121.763 0.792 . . . . 10.0 110.199 -178.332 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -140.34 107.15 5.38 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 106.096 -1.816 . . . . 10.0 106.096 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -20.3 56.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.64 0.733 . . . . 10.0 111.084 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.9 -22.36 63.23 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.56 -1.2 . . . . 10.0 109.11 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.02 146.16 31.66 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 107.304 -1.369 . . . . 10.0 107.304 177.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -88.35 75.48 1.84 Allowed 'Trans proline' 0 N--CA 1.462 -0.335 0 N-CA-C 115.62 1.354 . . . . 10.0 115.62 -177.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.503 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 2.4 m -147.78 149.09 15.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-O 121.528 0.68 . . . . 10.0 112.027 177.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.08 169.36 8.67 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 108.174 -1.047 . . . . 10.0 108.174 177.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.5 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -117.79 102.08 8.83 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 117.789 2.514 . . . . 10.0 117.789 -176.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.714 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -106.83 161.15 14.95 Favored 'General case' 0 C--O 1.195 -1.794 0 N-CA-C 115.069 1.507 . . . . 10.0 115.069 -171.11 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.544 ' HZ3' ' H73' ' B' ' 8' ' ' ' DT' . 34.2 mtpt -95.91 165.28 12.35 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 119.252 -0.979 . . . . 10.0 111.933 178.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.694 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -57.4 158.9 9.74 Favored Pre-proline 0 N--CA 1.47 0.563 0 CA-C-N 118.522 0.601 . . . . 10.0 111.345 179.569 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.561 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.4 Cg_endo -79.45 67.66 8.53 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.691 2.261 . . . . 10.0 108.617 177.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -49.53 -38.31 30.21 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 112.623 -2.081 . . . . 10.0 115.361 -177.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.2 p -88.63 1.71 54.53 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 109.594 -3.457 . . . . 10.0 113.107 -175.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.486 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.28 59.22 43.92 Favored Pre-proline 0 N--CA 1.445 -0.724 0 N-CA-C 106.156 -1.794 . . . . 10.0 106.156 175.202 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.571 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.6 Cg_endo -47.68 -55.45 3.96 Favored 'Trans proline' 0 C--O 1.216 -0.584 0 C-N-CA 123.854 3.036 . . . . 10.0 115.974 -174.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.8 OUTLIER -53.09 -44.19 67.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.478 0.656 . . . . 10.0 109.776 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.453 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.5 tm? -69.9 -33.28 71.99 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.185 -1.043 . . . . 10.0 108.185 179.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.694 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 51.4 t -63.54 -37.03 85.75 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 107.78 -1.193 . . . . 10.0 107.78 179.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -67.39 -26.82 66.63 Favored 'General case' 0 N--CA 1.424 -1.738 0 CA-C-N 114.956 -1.02 . . . . 10.0 113.518 -176.817 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.538 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -73.88 -23.18 59.55 Favored 'General case' 0 CA--C 1.492 -1.258 0 C-N-CA 116.154 -2.218 . . . . 10.0 108.731 178.899 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.665 ' O ' HG22 ' A' ' 40' ' ' VAL . 11.7 m0 -57.78 -29.5 64.9 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 105.99 -1.856 . . . . 10.0 105.99 178.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -55.28 -49.42 72.14 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 123.812 1.768 . . . . 10.0 109.62 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.538 ' HB1' ' O ' ' A' ' 35' ' ' GLU . . . -54.04 -35.85 62.42 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 110.716 -2.947 . . . . 10.0 112.393 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.65 -16.27 34.89 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.839 -0.745 . . . . 10.0 110.172 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 36' ' ' TRP . 21.4 t -92.43 37.72 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 108.211 -1.033 . . . . 10.0 108.211 174.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.92 12.43 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.873 1.435 . . . . 10.0 114.873 -176.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.446 ' HD3' ' CE1' ' A' ' 8' ' ' TYR . 10.7 tpt180 -71.94 141.06 49.46 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -52.28 -57.25 10.3 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.209 0.528 . . . . 10.0 110.038 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.34 69.07 7.89 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 108.69 -0.855 . . . . 10.0 108.69 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.634 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 5.7 t80 -44.03 126.31 4.84 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.18 -0.918 . . . . 10.0 110.23 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.634 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -62.37 -172.71 0.05 OUTLIER Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 114.648 -1.16 . . . . 10.0 111.472 179.577 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.746 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 86.8 Cg_exo -46.41 176.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 122.453 2.102 . . . . 10.0 112.299 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.533 HG22 " C2'" ' C' ' 21' ' ' ' DG' . 34.7 p -83.85 -154.2 0.15 Allowed 'General case' 0 CA--C 1.503 -0.846 0 N-CA-C 102.939 -2.986 . . . . 10.0 102.939 172.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -91.52 -3.71 56.24 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 112.357 -2.202 . . . . 10.0 114.129 -174.042 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.728 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 85.4 m-85 -77.53 -30.84 53.01 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 105.443 -2.058 . . . . 10.0 105.443 174.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.746 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 8.0 p -64.01 173.31 1.93 Allowed 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 120.441 1.473 . . . . 10.0 109.183 174.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.591 ' C ' HD11 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -111.17 161.52 15.87 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.208 -1.36 . . . . 10.0 110.254 -178.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.591 HD11 ' C ' ' A' ' 52' ' ' SER . 3.2 mp -131.25 158.02 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 N-CA-C 107.43 -1.322 . . . . 10.0 107.43 -176.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.59 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.7 p -107.14 158.23 17.25 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 120.277 1.398 . . . . 10.0 111.338 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.714 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -52.27 -37.35 55.2 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 119.078 2.992 . . . . 10.0 119.078 -172.812 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -16.03 1.38 Allowed 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 114.43 1.27 . . . . 10.0 114.43 -176.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.537 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 92.0 m-70 -87.45 -16.55 34.5 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 114.893 1.442 . . . . 10.0 114.893 -176.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.541 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -138.01 137.76 38.19 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.673 0.67 . . . . 10.0 111.859 -177.636 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 p -43.86 138.33 3.21 Favored Pre-proline 0 N--CA 1.432 -1.366 0 CA-C-N 114.207 -1.361 . . . . 10.0 111.055 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.524 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 8.7 Cg_endo -49.49 -29.13 17.71 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.161 2.574 . . . . 10.0 112.509 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.441 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 9.0 m-20 -61.41 -48.56 80.64 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 113.717 -1.583 . . . . 10.0 107.503 175.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.581 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -91.51 6.68 44.65 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 113.786 1.032 . . . . 10.0 113.786 -174.671 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.524 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -39.15 -57.85 1.25 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 114.223 1.194 . . . . 10.0 114.223 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 67' ' ' SER . 13.9 pttt -175.86 -140.51 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 117.881 0.309 . . . . 10.0 111.534 -177.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.27 -12.08 12.06 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.354 0.501 . . . . 10.0 112.354 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.98 6.27 25.8 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.6 -0.519 . . . . 10.0 109.6 178.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.742 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 1.4 t -70.7 -108.35 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.176 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.478 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -102.65 -63.36 1.17 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -178.791 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -102.51 -73.67 0.65 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -178.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.521 ' HZ3' " H4'" ' C' ' 29' ' ' ' DA' . 10.8 tppt? -147.25 1.39 0.73 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.746 0.308 . . . . 10.0 111.478 -179.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.742 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -143.95 -164.43 1.88 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 118.568 -0.729 . . . . 10.0 109.131 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.581 HD21 ' O ' ' A' ' 62' ' ' SER . 3.1 mp -64.07 -172.56 0.07 Allowed 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 122.748 1.261 . . . . 10.0 110.045 -176.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.608 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 3.1 mmmm -88.57 105.25 17.52 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 103.703 -2.703 . . . . 10.0 103.703 170.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.486 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 11.2 pm0 -50.39 -5.17 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 115.747 1.758 . . . . 10.0 115.747 -178.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -110.28 16.93 21.39 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.819 175.765 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.529 ' HB3' ' OG ' ' A' ' 62' ' ' SER . . . -141.33 143.26 33.93 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 123.747 1.737 . . . . 10.0 110.042 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.14 151.24 44.16 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 110.636 -2.983 . . . . 10.0 108.298 -177.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.537 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 2.0 Cg_endo -46.2 118.86 2.65 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.225 2.617 . . . . 10.0 107.754 176.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.48 -10.34 8.42 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 113.834 -1.53 . . . . 10.0 109.123 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -93.09 6.65 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 115.493 -0.776 . . . . 10.0 111.179 -177.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.436 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.5 m-30 -39.8 -48.92 2.31 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.014 1.116 . . . . 10.0 114.014 -177.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.508 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -170.63 164.19 8.23 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.282 -0.266 . . . . 10.0 110.282 -179.034 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -76.79 -58.51 3.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.186 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.25 -68.6 0.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.543 -0.299 . . . . 10.0 111.029 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 3.2 p -159.48 134.87 5.86 Favored Pre-proline 0 N--CA 1.452 -0.357 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.419 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 16.8 Cg_exo -65.78 177.38 2.91 Favored 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 122.923 2.415 . . . . 10.0 112.682 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.848 0 CA-C-O 117.751 -1.118 . . . . 10.0 109.455 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.858 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.541 0 O4'-C1'-C2' 107.013 0.83 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.858 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C4'-C3' 104.734 -0.866 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.713 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C1'-N19 108.972 1.465 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.713 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 O4'-C4'-C3' 104.363 -1.237 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.568 H2'' ' C7 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 O4'-C1'-C2' 107.086 0.896 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.645 " H1'" ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 O4'-C1'-C2' 107.178 0.98 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.826 " H2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 O4'-C1'-N19 109.178 1.723 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.826 ' H71' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.647 0 C5'-C4'-C3' 112.874 -1.217 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.511 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.421 -1.204 0 O4'-C1'-N19 109.241 1.801 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.565 " H2'" HG11 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.418 -1.346 0 O4'-C1'-N19 109.212 1.765 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.576 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.969 0 O3'-P-O5' 101.325 -1.408 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.576 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C2'-C3'-O3' 112.971 0.878 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.594 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-C2' 107.103 0.912 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.829 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.578 0 O4'-C1'-C2' 106.963 0.784 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.108 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 O4'-C1'-N19 109.908 2.636 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.108 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.45 2.291 2 N19-C1'-C2' 103.434 -6.728 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.73 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-N19 108.8 1.249 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.73 ' C8 ' H2'' ' C' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C1'-C2' 107.218 1.017 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.708 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 O4'-C1'-N19 108.723 1.154 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.708 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 O4'-C1'-C2' 107.527 1.297 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.533 " C2'" HG22 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 O4'-C1'-C2' 107.156 0.96 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.667 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.419 -1.311 0 O4'-C1'-N19 109.304 1.88 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.728 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 P-O5'-C5' 118.267 -1.646 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 O4'-C1'-N19 109.228 1.784 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . 0.503 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.082 0 O4'-C4'-C3' 104.289 -1.311 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.565 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.706 0 O3'-P-O5' 101.74 -1.189 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.681 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 O4'-C1'-C2' 107.179 0.981 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.681 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-N19 108.754 1.193 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.521 " H4'" ' HZ3' ' A' ' 70' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 107.376 1.16 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.476 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-C2' 107.176 0.978 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.596 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.662 0 O4'-C1'-C2' 107.003 0.821 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.596 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-C2' 107.128 0.934 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.639 ' HE1' ' H71' ' C' ' 20' ' ' ' DT' . 3.2 mpp? . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 109.099 -0.704 . . . . 10.0 109.099 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.426 HG11 " H2'" ' B' ' 10' ' ' ' DG' . 2.5 m -69.07 -34.84 65.77 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.624 0 O-C-N 123.283 0.365 . . . . 10.0 110.453 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -52.52 -59.49 4.38 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.976 -0.75 . . . . 10.0 108.976 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.482 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 2.6 t 179.33 171.4 0.94 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 123.551 0.532 . . . . 10.0 110.654 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.39 168.38 16.64 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 107.594 -1.262 . . . . 10.0 107.594 -176.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.619 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 9.2 t -74.16 -0.32 16.34 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 112.461 -2.154 . . . . 10.0 111.682 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.435 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . . . -59.68 -147.42 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.448 0.907 . . . . 10.0 113.448 178.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.49 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 0.7 OUTLIER -112.43 70.72 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.697 -0.627 . . . . 10.0 109.406 -178.408 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.71 33.96 26.17 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.315 -0.945 . . . . 10.0 114.053 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.9 t -85.0 73.5 10.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.228 0.514 . . . . 10.0 111.75 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.482 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 6.9 mmtp -69.22 60.68 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 177.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -92.95 30.81 1.52 Allowed 'General case' 0 C--N 1.317 -0.805 0 O-C-N 121.352 -0.843 . . . . 10.0 111.536 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -23.58 133.67 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 O-C-N 125.253 1.595 . . . . 10.0 110.804 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -37.59 110.29 0.12 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.985 0.897 . . . . 10.0 111.318 -177.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.598 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 3.1 t0 -134.6 111.67 10.23 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 106.42 -1.696 . . . . 10.0 106.42 178.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -64.12 -16.64 62.25 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.122 -0.944 . . . . 10.0 111.829 -179.404 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.598 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -76.43 -23.78 53.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.248 -0.887 . . . . 10.0 108.677 179.633 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.543 ' HZ2' ' HB3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -100.69 145.45 30.37 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 107.9 -1.148 . . . . 10.0 107.9 178.799 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -90.23 76.23 0.96 Allowed 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 121.717 1.611 . . . . 10.0 116.266 -176.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.41 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 2.7 m -145.87 146.12 19.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-O 121.364 0.602 . . . . 10.0 111.26 178.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 p -104.64 168.6 8.97 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.072 -1.084 . . . . 10.0 108.072 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -120.73 101.46 7.74 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 117.397 2.369 . . . . 10.0 117.397 -176.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.72 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.38 162.67 13.7 Favored 'General case' 0 C--O 1.195 -1.775 0 N-CA-C 114.987 1.477 . . . . 10.0 114.987 -170.193 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.556 ' NZ ' ' H73' ' B' ' 8' ' ' ' DT' . 15.2 mtpt -95.05 165.47 12.41 Favored 'General case' 0 C--N 1.311 -1.068 0 C-N-CA 119.419 -0.912 . . . . 10.0 111.727 178.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.73 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -59.05 158.18 18.52 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 118.666 0.666 . . . . 10.0 110.323 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.563 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 49.3 Cg_endo -79.52 68.33 8.32 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.472 2.115 . . . . 10.0 108.409 177.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.1 mt -49.95 -36.06 26.47 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 112.99 -1.914 . . . . 10.0 115.109 -176.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.0 p -88.76 1.62 54.89 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 109.673 -3.421 . . . . 10.0 113.2 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.51 57.61 32.6 Favored Pre-proline 0 N--CA 1.447 -0.592 0 N-CA-C 106.145 -1.798 . . . . 10.0 106.145 174.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.521 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 4.5 Cg_endo -46.7 -56.1 3.26 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 123.844 3.03 . . . . 10.0 115.627 -175.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -47.37 57.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.279 0.561 . . . . 10.0 109.654 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.456 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.8 tm? -69.92 -33.15 71.78 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.428 -0.953 . . . . 10.0 108.428 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.73 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 49.4 t -63.29 -36.53 83.99 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 107.149 -1.426 . . . . 10.0 107.149 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -68.83 -24.08 64.33 Favored 'General case' 0 N--CA 1.427 -1.6 0 N-CA-C 113.726 1.01 . . . . 10.0 113.726 -176.126 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -75.18 -21.84 58.46 Favored 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 115.888 -2.325 . . . . 10.0 108.317 178.844 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.473 ' O ' HG22 ' A' ' 40' ' ' VAL . 11.4 m0 -59.2 -26.23 64.66 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 106.21 -1.774 . . . . 10.0 106.21 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -55.82 -48.16 75.94 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 123.712 1.72 . . . . 10.0 109.33 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -53.49 -35.24 60.38 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 110.596 -3.002 . . . . 10.0 112.024 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.05 -16.55 31.32 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 119.841 -0.744 . . . . 10.0 110.197 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.52 ' C ' ' H ' ' A' ' 42' ' ' ARG . 24.4 t -92.41 25.59 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 122.338 1.066 . . . . 10.0 108.471 175.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -56.95 13.67 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.748 1.388 . . . . 10.0 114.748 -177.747 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.52 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -76.59 145.56 38.86 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 122.2 -0.312 . . . . 10.0 110.277 -179.408 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -51.94 -54.79 25.46 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.83 68.15 9.83 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.449 -0.796 . . . . 10.0 109.265 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.647 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 2.5 t80 -49.46 122.83 6.66 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.39 -0.823 . . . . 10.0 108.844 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.647 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -61.86 -172.05 0.05 OUTLIER Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 114.837 -1.074 . . . . 10.0 110.826 179.209 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.72 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 81.0 Cg_exo -47.05 176.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 121.955 1.77 . . . . 10.0 112.054 178.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.59 HG22 " C2'" ' C' ' 21' ' ' ' DG' . 32.7 p -82.19 -153.54 0.11 Allowed 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 103.354 -2.832 . . . . 10.0 103.354 172.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.556 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.0 -3.51 57.95 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 112.027 -2.351 . . . . 10.0 114.052 -173.408 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.721 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 70.1 m-85 -78.25 -30.51 48.67 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 105.68 -1.97 . . . . 10.0 105.68 174.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.72 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 10.7 p -62.95 173.0 1.49 Allowed 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 120.675 1.579 . . . . 10.0 109.596 174.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.643 ' C ' HD11 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -109.6 159.43 17.11 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.271 -1.332 . . . . 10.0 109.764 -179.791 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.643 HD11 ' C ' ' A' ' 52' ' ' SER . 2.7 mp -129.78 158.24 42.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 114.219 -1.355 . . . . 10.0 107.722 -175.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.608 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 15.2 p -105.84 157.43 17.47 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 119.988 1.267 . . . . 10.0 111.827 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.72 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 2.1 p -53.36 -41.15 65.56 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 118.85 2.908 . . . . 10.0 118.85 -173.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -14.41 1.1 Allowed 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 114.607 1.336 . . . . 10.0 114.607 -176.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.482 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 82.7 m-70 -85.43 -17.05 37.74 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 114.643 1.349 . . . . 10.0 114.643 -177.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.594 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -125.18 174.69 7.91 Favored 'General case' 0 CA--C 1.502 -0.88 0 CA-C-N 118.412 0.551 . . . . 10.0 109.974 -178.441 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.11 140.1 42.59 Favored Pre-proline 0 N--CA 1.432 -1.325 0 N-CA-C 108.69 -0.855 . . . . 10.0 108.69 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.589 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.1 Cg_endo -49.75 -30.89 24.08 Favored 'Trans proline' 0 C--N 1.33 -0.433 0 C-N-CA 123.359 2.706 . . . . 10.0 113.015 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.05 -46.23 88.77 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.321 -1.308 . . . . 10.0 109.099 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.428 ' OG ' ' HB2' ' A' ' 73' ' ' LYS . 1.9 t -94.4 3.73 54.8 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 113.967 -1.469 . . . . 10.0 114.055 -175.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.589 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -36.81 -55.03 0.91 Allowed 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 -178.817 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -173.66 -145.3 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.617 0.644 . . . . 10.0 112.539 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -54.72 -19.63 6.65 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.434 0.902 . . . . 10.0 113.434 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -80.55 5.53 15.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.016 0.436 . . . . 10.0 110.091 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.816 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.6 t -68.62 -101.66 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.632 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.42 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.5 OUTLIER -101.0 -68.66 0.8 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.872 0.367 . . . . 10.0 111.904 -178.483 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -109.41 -67.75 0.96 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.621 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -144.63 0.35 0.98 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.215 -0.594 . . . . 10.0 112.512 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.816 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -140.53 -164.59 1.75 Allowed 'General case' 0 C--O 1.214 -0.782 0 CA-C-O 118.622 -0.704 . . . . 10.0 110.426 -179.143 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.563 ' CD1' ' HB3' ' A' ' 26' ' ' PRO . 3.8 mp -64.33 -168.79 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 123.779 1.752 . . . . 10.0 110.922 -176.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.633 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -87.87 100.91 13.23 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 103.446 -2.798 . . . . 10.0 103.446 170.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.456 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -51.63 -7.99 0.05 Allowed 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 115.131 1.53 . . . . 10.0 115.131 -178.742 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.36 16.97 21.97 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.602 -0.726 . . . . 10.0 111.047 176.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.434 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -139.51 142.98 37.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 123.837 1.78 . . . . 10.0 109.418 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.48 149.15 43.1 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 110.254 -3.157 . . . . 10.0 108.853 -178.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.508 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 1.2 Cg_endo -46.94 118.99 3.04 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.54 2.827 . . . . 10.0 107.984 177.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.7 t -124.23 -10.95 7.53 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.123 -1.399 . . . . 10.0 109.57 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -91.19 6.26 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.086 -0.961 . . . . 10.0 110.64 -177.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.508 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 2.0 m-30 -39.42 -52.79 2.07 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.046 1.128 . . . . 10.0 114.046 -178.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.49 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -167.77 163.29 14.16 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 -179.111 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -67.73 -59.87 2.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.108 -0.701 . . . . 10.0 109.108 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.28 -66.68 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.609 179.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.5 p -153.76 125.37 3.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 10.0 111.51 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -66.74 -179.76 1.8 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.698 2.932 . . . . 10.0 113.099 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-N 115.195 -0.911 . . . . 10.0 109.698 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.693 H2'' ' C6 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.564 0 O5'-C5'-C4' 111.601 1.001 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.693 ' C6 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.998 0 O4'-C1'-N19 109.07 1.587 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.612 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 O4'-C1'-N19 108.954 1.442 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.612 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-N19 108.678 1.097 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.579 H2'' ' C7 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 C4'-C3'-C2' 102.466 -0.734 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.653 H2'' ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.071 0 O4'-C4'-C3' 104.632 -0.968 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.653 ' C8 ' H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 O4'-C1'-N19 109.497 2.121 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.645 ' H72' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.68 0 O3'-P-O5' 101.901 -1.105 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.505 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.421 -1.163 0 O4'-C1'-N19 109.288 1.859 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.505 ' OP2' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.383 0 P-O5'-C5' 117.846 -1.908 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 O3'-P-O5' 101.053 -1.551 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.515 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.422 -1.104 0 C2'-C3'-O3' 114.158 1.318 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.533 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 O4'-C1'-C2' 107.054 0.867 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.954 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 O4'-C1'-C2' 106.962 0.784 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.055 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 O4'-C1'-N19 109.48 2.1 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.055 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.452 2.471 2 N19-C1'-C2' 103.137 -6.914 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.563 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.43 0.776 0 O4'-C1'-N19 108.97 1.462 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.762 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 O4'-C1'-N19 108.729 1.162 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.818 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 O4'-C1'-C2' 106.942 0.765 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.818 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 O4'-C1'-C2' 107.296 1.088 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.59 " C2'" HG22 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 O4'-C1'-C2' 107.148 0.953 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.696 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.419 -1.326 0 O4'-C1'-N19 108.876 1.344 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.721 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 P-O5'-C5' 118.249 -1.657 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.044 0 O4'-C1'-N19 108.882 1.353 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . 0.471 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.969 0 O4'-C1'-N19 109.267 1.834 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.569 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.663 0 O3'-P-O5' 101.714 -1.203 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.662 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-C2' 107.044 0.858 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.662 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 O4'-C1'-N19 108.732 1.166 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.54 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C4'-C3' 104.5 -1.1 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.508 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 O4'-C4'-C3' 104.615 -0.985 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.439 ' C8 ' H2'' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-C2' 107.093 0.902 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.419 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.669 0 O4'-C1'-C2' 107.134 0.94 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.596 ' SD ' ' H72' ' C' ' 20' ' ' ' DT' . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 109.196 -0.668 . . . . 10.0 109.196 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.619 ' CG1' " H2'" ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -68.38 -46.02 81.36 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 O-C-N 123.014 0.196 . . . . 10.0 110.574 -179.614 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -50.66 -50.38 54.8 Favored 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 123.967 0.792 . . . . 10.0 109.598 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.576 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 2.7 t -178.14 166.83 1.98 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 123.419 0.449 . . . . 10.0 111.562 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.7 m -80.75 165.29 22.06 Favored 'General case' 0 C--N 1.339 0.121 0 N-CA-C 107.844 -1.169 . . . . 10.0 107.844 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.634 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 8.0 t -74.92 0.06 16.97 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 112.908 -1.951 . . . . 10.0 110.656 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.89 -149.32 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 113.972 1.101 . . . . 10.0 113.972 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.431 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -110.41 68.03 0.66 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.833 -0.622 . . . . 10.0 109.36 -178.236 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.69 33.21 25.28 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.54 -0.838 . . . . 10.0 113.291 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.6 t -88.13 75.98 8.58 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 117.567 0.684 . . . . 10.0 112.246 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.576 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 11.5 mtpt -72.69 63.99 0.63 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.336 -0.986 . . . . 10.0 108.336 176.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -92.07 32.17 1.18 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 119.296 0.953 . . . . 10.0 112.918 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.437 ' HD3' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -24.36 137.65 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 O-C-N 124.711 1.257 . . . . 10.0 112.026 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.468 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -43.19 109.42 0.14 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.45 0.643 . . . . 10.0 110.956 -178.18 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.527 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 17.8 t0 -134.49 117.45 16.24 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 105.542 -2.021 . . . . 10.0 105.542 177.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.96 -16.88 61.07 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.366 -0.834 . . . . 10.0 111.505 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.505 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . 96.4 m-20 -74.5 -24.24 58.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.17 -0.923 . . . . 10.0 109.687 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -100.7 140.96 21.78 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 108.335 -0.987 . . . . 10.0 108.335 179.221 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -86.71 75.63 2.63 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 121.463 1.442 . . . . 10.0 114.754 -177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.466 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 1.6 m -146.28 148.21 17.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-O 121.252 0.549 . . . . 10.0 111.213 178.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.4 169.1 8.78 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 108.034 -1.098 . . . . 10.0 108.034 177.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.468 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 1.9 m-85 -117.8 103.75 10.29 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 116.983 2.216 . . . . 10.0 116.983 -177.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.721 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -106.36 159.17 16.34 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 114.796 1.406 . . . . 10.0 114.796 -171.337 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.501 ' HD3' ' H73' ' B' ' 8' ' ' ' DT' . 28.3 mtpt -94.31 163.59 13.37 Favored 'General case' 0 C--N 1.309 -1.161 0 C-N-CA 119.124 -1.03 . . . . 10.0 111.122 178.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.736 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.5 m-85 -58.05 157.3 16.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 118.642 0.655 . . . . 10.0 111.092 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.662 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 91.7 Cg_endo -77.23 68.45 7.43 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.904 2.403 . . . . 10.0 109.484 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.431 HD22 ' HG3' ' A' ' 49' ' ' LYS . 12.6 mt -50.38 -35.25 27.31 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 112.778 -2.01 . . . . 10.0 115.257 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.0 p -90.31 0.09 57.4 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 109.896 -3.32 . . . . 10.0 113.328 -176.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.475 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -131.45 59.13 43.29 Favored Pre-proline 0 N--CA 1.444 -0.742 0 N-CA-C 106.118 -1.808 . . . . 10.0 106.118 175.404 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.498 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.4 Cg_endo -46.58 -53.14 6.44 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.814 3.009 . . . . 10.0 115.191 -175.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.4 m -52.15 -46.07 65.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.966 0.412 . . . . 10.0 109.939 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.448 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . 1.4 tm? -71.37 -32.64 68.73 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.196 -1.038 . . . . 10.0 108.196 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.736 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 49.9 t -62.96 -37.12 85.83 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.267 -1.382 . . . . 10.0 107.267 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -24.83 64.93 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 113.742 1.016 . . . . 10.0 113.742 -176.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.12 -22.25 55.72 Favored 'General case' 0 CA--C 1.497 -1.081 0 C-N-CA 116.448 -2.101 . . . . 10.0 108.95 179.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.622 ' O ' HG22 ' A' ' 40' ' ' VAL . 12.2 m0 -58.39 -27.63 64.43 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 105.934 -1.876 . . . . 10.0 105.934 177.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -55.38 -48.12 74.79 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 123.632 1.682 . . . . 10.0 109.657 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.96 -34.72 60.5 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 110.677 -2.965 . . . . 10.0 112.63 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.419 ' O ' ' HD2' ' A' ' 81' ' ' PHE . . . -88.48 -15.99 33.9 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 120.311 -0.556 . . . . 10.0 111.206 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 36' ' ' TRP . 20.0 t -90.28 45.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 107.215 -1.402 . . . . 10.0 107.215 175.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.31 13.11 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.107 -1.406 . . . . 10.0 114.007 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.419 ' H ' ' C ' ' A' ' 40' ' ' VAL . 5.7 tpt180 -78.33 144.31 36.16 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -56.92 -56.38 22.36 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.274 0.559 . . . . 10.0 109.683 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.13 68.33 6.23 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.078 -0.965 . . . . 10.0 108.758 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.64 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 4.5 t80 -46.59 124.45 5.98 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.283 -0.871 . . . . 10.0 109.326 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.64 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -62.63 -172.92 0.06 OUTLIER Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 114.632 -1.167 . . . . 10.0 111.262 179.605 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.755 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 82.7 Cg_exo -46.13 176.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.336 2.024 . . . . 10.0 112.832 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.531 HG22 " H2'" ' C' ' 21' ' ' ' DG' . 36.6 p -82.49 -153.83 0.12 Allowed 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 103.253 -2.869 . . . . 10.0 103.253 172.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.499 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -90.33 -3.55 57.68 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 111.875 -2.42 . . . . 10.0 114.161 -173.756 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.72 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 81.4 m-85 -78.16 -30.8 49.34 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 105.29 -2.115 . . . . 10.0 105.29 174.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.755 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 12.8 p -64.39 173.09 2.2 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 117.767 -1.573 . . . . 10.0 109.082 174.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.566 ' C ' HD11 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -110.18 162.84 14.2 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.772 -1.103 . . . . 10.0 110.165 -178.171 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.566 HD11 ' C ' ' A' ' 52' ' ' SER . 3.3 mp -130.77 158.46 43.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 107.805 -1.183 . . . . 10.0 107.805 -176.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.599 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 13.9 p -106.33 156.77 18.17 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 119.927 1.24 . . . . 10.0 111.607 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.721 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.8 p -54.7 -37.12 65.43 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 118.972 2.952 . . . . 10.0 118.972 -172.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -15.34 2.37 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 114.068 1.136 . . . . 10.0 114.068 -176.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.556 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 88.4 m-70 -86.25 -16.91 36.16 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 114.532 1.308 . . . . 10.0 114.532 -177.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.538 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -137.27 136.25 37.89 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 118.229 0.468 . . . . 10.0 110.891 -178.666 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.2 p -41.49 136.59 1.85 Allowed Pre-proline 0 N--CA 1.431 -1.39 0 O-C-N 124.795 1.31 . . . . 10.0 111.17 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.583 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.0 Cg_endo -49.49 -29.35 18.28 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.86 2.373 . . . . 10.0 111.887 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.602 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 3.4 m-20 -59.2 -49.71 76.81 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 113.724 -1.58 . . . . 10.0 107.653 174.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.543 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -89.72 6.08 43.08 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 114.219 1.192 . . . . 10.0 114.219 -174.376 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.583 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 1.1 m-30 -39.84 -56.9 1.68 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 114.624 1.342 . . . . 10.0 114.624 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.551 ' HZ2' H5'' ' B' ' 8' ' ' ' DT' . 3.7 pttt -174.94 -143.61 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.329 0.513 . . . . 10.0 112.168 -177.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.425 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 1.0 OUTLIER -56.45 -14.34 2.96 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.977 0.732 . . . . 10.0 112.977 -179.179 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -81.85 6.25 16.28 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.834 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.4 t -72.03 -110.68 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.089 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.467 ' N ' ' OG ' ' A' ' 67' ' ' SER . 1.0 OUTLIER -101.23 -65.38 0.98 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.717 0.636 . . . . 10.0 112.717 -178.411 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -104.25 -70.49 0.77 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.025 0.75 . . . . 10.0 113.025 -177.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -144.71 -6.0 0.71 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.392 -0.523 . . . . 10.0 112.175 -177.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.834 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -140.08 -159.32 0.94 Allowed 'General case' 0 C--O 1.214 -0.813 0 CA-C-O 118.325 -0.845 . . . . 10.0 110.002 -179.059 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.662 ' CD1' ' HB3' ' A' ' 26' ' ' PRO . 1.4 mp -64.63 -171.29 0.06 Allowed 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 122.425 1.107 . . . . 10.0 110.19 -176.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.663 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 4.4 mmmm -87.9 100.21 12.71 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 103.307 -2.849 . . . . 10.0 103.307 170.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.475 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 1.8 pm0 -48.78 -7.06 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 116.722 2.119 . . . . 10.0 116.722 -176.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.26 19.53 20.22 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.368 0.604 . . . . 10.0 110.57 175.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.51 142.6 32.27 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 123.424 1.583 . . . . 10.0 109.508 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.543 HG23 ' CD1' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -145.42 150.69 45.13 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 110.985 -2.825 . . . . 10.0 108.361 -177.831 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.556 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 1.3 Cg_endo -46.74 119.64 3.44 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 123.403 2.735 . . . . 10.0 107.677 177.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 t -124.67 -11.29 7.28 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 113.747 -1.569 . . . . 10.0 109.497 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -91.74 6.9 5.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.8 -176.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.439 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 2.2 m-30 -39.45 -48.39 1.96 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.765 1.024 . . . . 10.0 113.765 -177.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.431 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -173.26 170.85 4.2 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.216 -0.29 . . . . 10.0 110.216 -179.404 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -75.64 -66.3 0.79 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.998 0.427 . . . . 10.0 109.888 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.36 -73.55 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.092 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.8 p -157.45 129.94 4.25 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.007 -0.368 . . . . 10.0 110.007 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 4.8 Cg_exo -69.37 155.68 66.55 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 122.625 2.217 . . . . 10.0 111.875 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.424 ' O ' ' HD3' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.598 -0.715 . . . . 10.0 109.856 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.795 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.432 -0.529 0 O4'-C1'-C2' 107.034 0.849 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.795 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-N19 108.741 1.177 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.779 H2'' ' H72' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 O4'-C1'-N19 108.998 1.497 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.779 ' H72' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 O4'-C1'-N19 108.731 1.164 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.643 H2'' ' C7 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C1'-N19 108.512 0.891 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.643 ' C7 ' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 O4'-C1'-C2' 107.233 1.03 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.697 " H2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.511 -0.7 0 O4'-C1'-N19 109.398 1.998 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.697 ' H71' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 O4'-C1'-N19 108.918 1.398 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.476 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.419 -1.337 0 O4'-C1'-N19 109.419 2.024 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.619 " H2'" ' CG1' ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.421 -1.196 0 O4'-C1'-N19 109.637 2.296 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.437 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 O3'-P-O5' 100.698 -1.738 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.515 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C2'-C3'-O3' 113.162 0.949 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.593 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.995 0 C2'-C3'-O3' 112.888 0.848 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.914 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 O4'-C1'-C2' 107.076 0.888 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.106 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.443 0.89 0 O4'-C1'-N19 109.722 2.403 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.106 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.45 2.335 2 N19-C1'-C2' 103.893 -6.442 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.634 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-N19 109.303 1.878 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.811 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 O4'-C1'-N19 108.666 1.083 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.864 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.584 0 O4'-C1'-C2' 107.183 0.985 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.864 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O4'-C1'-C2' 107.35 1.136 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.531 " H2'" HG22 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 O4'-C1'-C2' 107.268 1.062 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.659 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.42 -1.259 0 O4'-C1'-N19 109.308 1.884 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.72 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O3'-P-O5' 100.934 -1.613 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-N19 109.124 1.655 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . 0.458 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-N19 108.962 1.452 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.57 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 O3'-P-O5' 101.359 -1.39 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.57 ' C8 ' H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-C2' 107.09 0.9 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.517 ' C6 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O4'-C1'-N19 109.04 1.55 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.448 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O4'-C1'-N19 108.786 1.232 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.458 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O3'-P-O5' 102.271 -0.91 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.486 H2'' ' C6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 O4'-C1'-C2' 107.148 0.953 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.486 ' C6 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 O4'-C1'-C2' 107.066 0.878 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.42 ' SD ' ' HG2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.654 ' CG1' " H2'" ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -69.15 -37.87 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.638 0 N-CA-C 112.078 0.399 . . . . 10.0 112.078 -178.911 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -51.37 -50.25 59.92 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 107.807 -1.183 . . . . 10.0 107.807 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.498 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 1.6 t 179.73 168.57 1.18 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.421 -1.263 . . . . 10.0 109.113 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.472 ' C ' ' H ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -77.8 170.93 15.75 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 123.414 1.578 . . . . 10.0 107.855 -175.156 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.567 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 1.2 m -78.44 16.28 0.84 Allowed 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 110.679 -2.964 . . . . 10.0 109.435 178.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.472 ' H ' ' C ' ' A' ' 5' ' ' CYS . . . -80.65 -146.39 0.05 Allowed 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 114.611 -1.177 . . . . 10.0 108.941 -177.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.406 ' CE2' ' HD3' ' A' ' 42' ' ' ARG . 2.9 t80 -123.15 80.12 1.74 Allowed 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.437 0.637 . . . . 10.0 109.981 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.13 23.08 50.19 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.364 -0.835 . . . . 10.0 114.413 177.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.452 ' SG ' ' HB2' ' A' ' 12' ' ' ASN . 26.5 t -85.74 73.94 10.31 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 111.911 0.337 . . . . 10.0 111.911 -179.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.498 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 17.1 mmtp -72.57 64.09 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.664 -1.236 . . . . 10.0 107.664 176.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.452 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 4.9 m-20 -94.51 29.84 2.16 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 121.939 -0.476 . . . . 10.0 111.544 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -24.2 134.63 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.204 0 O-C-N 125.124 1.515 . . . . 10.0 111.588 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -40.23 109.57 0.12 Allowed 'General case' 0 C--N 1.346 0.422 0 O-C-N 123.809 0.693 . . . . 10.0 111.852 -177.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.448 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 42.7 t0 -134.19 108.85 8.51 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 104.853 -2.277 . . . . 10.0 104.853 177.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -57.28 -15.6 6.53 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 113.999 -1.455 . . . . 10.0 111.631 179.218 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.418 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 8.9 m-20 -72.73 -24.39 60.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.061 -0.972 . . . . 10.0 109.248 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -106.14 149.23 37.9 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 114.946 -1.025 . . . . 10.0 108.251 179.416 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -90.53 75.74 0.89 Allowed 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 121.373 1.382 . . . . 10.0 115.622 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.59 143.53 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 121.76 0.791 . . . . 10.0 111.764 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 p -105.58 166.69 10.27 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 114.886 -1.052 . . . . 10.0 108.619 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -121.03 101.27 7.56 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 117.985 2.587 . . . . 10.0 117.985 -177.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.68 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.72 164.82 11.91 Favored 'General case' 0 C--O 1.195 -1.816 0 N-CA-C 115.196 1.554 . . . . 10.0 115.196 -170.4 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.665 ' HD3' ' H73' ' B' ' 8' ' ' ' DT' . 23.5 mtpt -96.21 165.03 12.42 Favored 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 119.078 -1.049 . . . . 10.0 111.513 177.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.721 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.5 m-85 -58.76 158.17 17.05 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 118.58 0.627 . . . . 10.0 110.698 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.469 ' HD3' ' CH2' ' A' ' 36' ' ' TRP . 41.2 Cg_endo -79.72 68.03 8.42 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.826 2.351 . . . . 10.0 108.719 177.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.492 ' CD2' ' HG3' ' A' ' 49' ' ' LYS . 9.1 mt -49.37 -38.42 28.48 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 112.401 -2.181 . . . . 10.0 115.506 -176.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 p -88.41 2.49 52.57 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 110.07 -3.241 . . . . 10.0 113.029 -175.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.29 59.58 46.41 Favored Pre-proline 0 N--CA 1.448 -0.546 0 N-CA-C 105.528 -2.026 . . . . 10.0 105.528 174.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.47 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 7.5 Cg_endo -47.41 -56.44 3.06 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.991 3.127 . . . . 10.0 116.412 -174.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.75 -44.23 63.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 118.569 0.622 . . . . 10.0 109.773 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -70.39 -33.73 71.74 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.92 -1.037 . . . . 10.0 108.45 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.721 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 24.6 t -63.08 -37.57 87.73 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 106.943 -1.503 . . . . 10.0 106.943 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -26.06 65.44 Favored 'General case' 0 N--CA 1.434 -1.25 0 N-CA-C 113.48 0.919 . . . . 10.0 113.48 -176.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -73.63 -23.14 59.85 Favored 'General case' 0 CA--C 1.498 -1.041 0 C-N-CA 115.789 -2.364 . . . . 10.0 108.582 179.282 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.684 ' O ' HG22 ' A' ' 40' ' ' VAL . 12.1 m0 -57.58 -30.78 65.56 Favored 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 106.267 -1.753 . . . . 10.0 106.267 178.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -54.25 -49.0 70.53 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 123.946 1.832 . . . . 10.0 109.879 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -55.28 -35.83 65.46 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 110.192 -3.186 . . . . 10.0 112.468 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.38 -13.3 49.84 Favored 'General case' 0 C--N 1.312 -1.046 0 C-N-CA 120.422 -0.511 . . . . 10.0 110.976 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 36' ' ' TRP . 12.5 t -91.83 37.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 122.53 1.157 . . . . 10.0 108.015 173.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.3 13.82 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.872 1.804 . . . . 10.0 115.872 -177.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.451 ' H ' ' C ' ' A' ' 40' ' ' VAL . 3.5 tpt180 -97.57 148.47 23.24 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 121.274 -0.891 . . . . 10.0 111.729 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.9 tttm -52.38 -44.58 65.37 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.136 0.493 . . . . 10.0 110.042 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -82.36 64.14 6.88 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.378 -0.828 . . . . 10.0 110.579 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.483 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 15.5 t80 -57.09 118.65 5.23 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.2 -1.037 . . . . 10.0 108.2 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.567 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -60.98 -172.32 0.04 OUTLIER Pre-proline 0 C--O 1.215 -0.735 0 CA-C-N 115.037 -0.983 . . . . 10.0 111.086 179.678 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.756 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 74.7 Cg_exo -44.78 177.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 122.823 2.349 . . . . 10.0 112.705 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.64 HG22 " H2'" ' C' ' 21' ' ' ' DG' . 34.5 p -82.12 -155.12 0.13 Allowed 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 102.649 -3.093 . . . . 10.0 102.649 172.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.556 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.46 0.0 57.48 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 112.627 -2.079 . . . . 10.0 114.107 -173.77 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.706 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 68.4 m-85 -79.17 -32.65 44.26 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 105.664 -1.976 . . . . 10.0 105.664 173.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.756 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 14.4 p -61.66 172.58 1.2 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 120.571 1.532 . . . . 10.0 109.391 175.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.647 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -109.55 159.58 16.96 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.377 -1.283 . . . . 10.0 110.223 -178.665 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.647 HD12 ' C ' ' A' ' 52' ' ' SER . 2.8 mp -129.68 158.54 42.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 N-CA-C 107.541 -1.281 . . . . 10.0 107.541 -176.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.564 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.9 p -106.5 155.82 19.2 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.957 1.253 . . . . 10.0 112.214 178.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.68 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 13.2 p -49.74 -42.34 45.95 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 118.311 2.708 . . . . 10.0 118.311 -173.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -14.7 2.79 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 114.556 1.317 . . . . 10.0 114.556 -176.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.482 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 85.9 m-70 -83.74 -17.18 42.11 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 114.178 1.177 . . . . 10.0 114.178 -177.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.551 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -125.18 174.74 7.87 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 108.986 -0.746 . . . . 10.0 108.986 -179.589 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.19 140.63 49.34 Favored Pre-proline 0 N--CA 1.425 -1.677 0 N-CA-C 107.885 -1.154 . . . . 10.0 107.885 178.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.546 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 8.3 Cg_endo -48.47 -29.93 14.72 Favored 'Trans proline' 0 C--N 1.33 -0.43 0 C-N-CA 123.48 2.786 . . . . 10.0 112.395 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.555 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 1.7 m-20 -57.48 -49.56 75.89 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.939 -1.482 . . . . 10.0 109.305 177.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.54 ' CB ' ' HG2' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -92.77 4.87 52.99 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 114.235 -1.348 . . . . 10.0 113.519 -174.491 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.677 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 0.4 OUTLIER -35.33 -54.6 0.65 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 114.137 1.162 . . . . 10.0 114.137 179.666 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.495 ' HD2' ' OP1' ' B' ' 8' ' ' ' DT' . 10.9 pttp -176.71 -138.32 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 118.512 0.596 . . . . 10.0 112.435 -178.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.55 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 3.4 ptm180 -63.25 -14.18 46.44 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.628 0.603 . . . . 10.0 112.628 -177.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.435 ' CD ' ' HZ1' ' A' ' 64' ' ' LYS . 4.4 mp0 -86.38 6.7 28.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.937 0.399 . . . . 10.0 109.957 178.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.795 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.3 t -66.73 -101.86 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.359 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -101.66 -69.55 0.78 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.693 0.282 . . . . 10.0 111.264 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -102.5 -70.74 0.74 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.678 -0.409 . . . . 10.0 111.831 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.764 ' HZ3' " H5'" ' C' ' 30' ' ' ' DA' . 0.0 OUTLIER -145.98 2.98 0.92 Allowed 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.397 0.517 . . . . 10.0 112.397 -179.057 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.795 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -144.23 -167.04 2.52 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-O 118.467 -0.778 . . . . 10.0 109.352 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.475 HD21 ' O ' ' A' ' 62' ' ' SER . 3.9 mp -63.78 -173.95 0.09 Allowed 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 122.67 1.224 . . . . 10.0 110.271 -175.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.628 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -88.46 106.03 18.0 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 104.008 -2.59 . . . . 10.0 104.008 170.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -7.09 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 116.316 1.969 . . . . 10.0 116.316 -177.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -108.71 16.05 23.16 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.979 176.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -137.87 143.72 41.04 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 123.589 1.662 . . . . 10.0 109.925 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.422 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -147.11 148.77 33.24 Favored Pre-proline 0 CA--C 1.538 0.518 0 CA-C-N 110.674 -2.966 . . . . 10.0 108.719 -177.499 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.53 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 1.6 Cg_endo -44.96 120.65 3.04 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 123.595 2.863 . . . . 10.0 108.148 177.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t -123.97 -10.27 7.69 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 113.75 -1.568 . . . . 10.0 109.774 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.477 HG22 HD12 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -94.61 6.74 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.642 -176.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.482 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.8 m-30 -40.05 -50.41 2.58 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.731 1.011 . . . . 10.0 113.731 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.41 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -169.04 160.45 9.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.605 0.24 . . . . 10.0 110.578 -179.353 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -72.3 -50.42 27.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.519 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.45 -70.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.675 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.45 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.4 p -151.8 132.05 7.22 Favored Pre-proline 0 N--CA 1.45 -0.457 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.997 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 4.2 Cg_exo -72.14 155.58 56.51 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.341 2.027 . . . . 10.0 112.004 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.093 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.916 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.513 -0.461 0 O4'-C1'-C2' 106.928 0.753 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.916 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-N19 108.822 1.277 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.867 H2'' ' H73' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.028 0 O4'-C1'-N19 108.643 1.053 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.867 ' H73' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.052 0 O4'-C4'-C3' 104.527 -1.073 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.651 H2'' ' C7 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O4'-C4'-C3' 104.773 -0.827 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.651 ' C7 ' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 O4'-C1'-C2' 107.298 1.089 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.646 ' C8 ' " H1'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 O4'-C1'-N19 109.351 1.939 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.665 ' H73' ' HD3' ' A' ' 24' ' ' LYS . . . . . . . . 0 C4'--C3' 1.521 -0.709 0 C5'-C4'-C3' 112.802 -1.265 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.475 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.422 -1.134 0 O4'-C1'-N19 109.424 2.03 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.654 " H2'" ' CG1' ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.423 -1.047 0 O4'-C1'-N19 109.981 2.726 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.521 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.1 0 O3'-P-O5' 100.36 -1.916 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.521 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 P-O5'-C5' 119.187 -1.071 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.631 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C5'-C4'-C3' 116.039 0.892 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.855 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.603 0 O4'-C1'-C2' 107.167 0.97 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.063 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.018 0 O4'-C1'-N19 109.771 2.464 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.063 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.453 2.517 2 N19-C1'-C2' 104.099 -6.313 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.719 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O4'-C1'-N19 109.219 1.773 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.755 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C4'-C3' 104.458 -1.142 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.836 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 O4'-C1'-N19 108.459 0.824 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.836 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 O4'-C1'-C2' 107.485 1.259 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.64 " H2'" HG22 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.423 -1.069 0 O4'-C1'-N19 108.837 1.297 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.702 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.42 -1.256 0 O4'-C1'-N19 109.238 1.797 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.706 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O3'-P-O5' 100.454 -1.866 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 O4'-C1'-N19 108.955 1.444 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . 0.482 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 O4'-C1'-N19 108.978 1.472 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.482 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 O4'-C1'-N19 108.961 1.451 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.651 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C4'-C3' 104.69 -0.91 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.651 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 O4'-C1'-C2' 107.099 0.908 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.63 H2'' ' C8 ' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O4'-C1'-N19 108.629 1.037 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.764 " H5'" ' HZ3' ' A' ' 70' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-N19 109.088 1.61 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.541 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 O4'-C1'-C2' 107.11 0.918 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.541 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 O4'-C1'-C2' 106.877 0.706 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 ptp . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 109.878 -0.416 . . . . 10.0 109.878 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.536 HG11 " H2'" ' B' ' 10' ' ' ' DG' . 32.9 m -79.68 -14.63 13.26 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.493 0 C-N-CA 120.873 -0.331 . . . . 10.0 110.274 179.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.559 ' NE2' ' H73' ' C' ' 20' ' ' ' DT' . 43.9 mt-30 -50.85 -64.23 0.87 Allowed 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 123.819 0.699 . . . . 10.0 110.4 -178.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.592 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 176.08 171.56 0.39 Allowed 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.37 0.419 . . . . 10.0 111.207 178.536 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.05 163.66 24.02 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 107.096 -1.446 . . . . 10.0 107.096 -177.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.561 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 7.5 t -71.93 2.31 5.8 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 113.412 -1.722 . . . . 10.0 111.709 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.84 -150.54 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.885 0.85 . . . . 10.0 112.625 178.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.597 ' CE1' ' HD3' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -114.42 73.65 0.84 Allowed 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 121.239 -0.913 . . . . 10.0 109.381 -178.429 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.52 21.73 53.05 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.537 -0.839 . . . . 10.0 114.485 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 36.6 t -80.84 75.24 7.78 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 117.636 0.718 . . . . 10.0 112.145 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.592 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 17.5 mttt -72.17 65.33 0.58 Allowed 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.558 -0.904 . . . . 10.0 108.558 176.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -88.27 31.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.129 -0.357 . . . . 10.0 111.459 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -24.9 134.06 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 O-C-N 124.526 1.141 . . . . 10.0 111.706 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.533 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -44.35 111.05 0.26 Allowed 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.962 0.886 . . . . 10.0 111.378 -178.368 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.449 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 51.5 t0 -136.59 109.7 7.75 Favored 'General case' 0 N--CA 1.435 -1.206 0 CA-C-N 113.282 -1.781 . . . . 10.0 106.239 177.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -15.98 38.96 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.703 0.763 . . . . 10.0 111.09 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.449 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -72.86 -24.66 60.9 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 114.707 -1.133 . . . . 10.0 109.248 179.361 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.11 147.38 34.04 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 114.578 -1.192 . . . . 10.0 108.373 178.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -91.46 75.92 0.62 Allowed 'Trans proline' 0 CA--C 1.533 0.461 0 N-CA-C 116.48 1.685 . . . . 10.0 116.48 -177.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 m -143.98 145.89 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.38 0.61 . . . . 10.0 111.409 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 p -105.36 166.63 10.29 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.337 -0.847 . . . . 10.0 108.725 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.533 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -116.42 102.22 9.33 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 117.189 2.292 . . . . 10.0 117.189 -176.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.738 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.29 161.24 14.97 Favored 'General case' 0 C--O 1.2 -1.543 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 -171.063 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.587 ' HD3' ' H73' ' B' ' 8' ' ' ' DT' . 17.1 mtpt -94.81 163.16 13.46 Favored 'General case' 0 C--N 1.312 -1.064 0 C-N-CA 119.356 -0.938 . . . . 10.0 110.972 177.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.771 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.1 m-85 -58.48 158.1 16.11 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 118.323 0.51 . . . . 10.0 111.162 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.447 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 59.7 Cg_endo -78.21 67.05 8.28 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.057 2.505 . . . . 10.0 108.933 178.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.413 HD22 ' HG3' ' A' ' 49' ' ' LYS . 16.3 mt -49.23 -39.04 28.53 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 112.133 -2.303 . . . . 10.0 115.908 -176.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 p -89.53 2.49 54.53 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 110.242 -3.163 . . . . 10.0 112.937 -175.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.444 ' HD3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -131.63 58.61 39.18 Favored Pre-proline 0 N--CA 1.447 -0.615 0 N-CA-C 105.517 -2.031 . . . . 10.0 105.517 174.341 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -48.5 -50.54 12.08 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.886 3.058 . . . . 10.0 115.729 -174.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -47.6 63.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.444 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . 1.2 tm? -69.76 -34.02 73.21 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.394 -0.965 . . . . 10.0 108.394 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.771 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 8.8 t -62.69 -37.06 84.98 Favored 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 107.742 -1.207 . . . . 10.0 107.742 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.43 ' HZ1' ' HG3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -69.36 -23.91 63.82 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 -176.316 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -75.73 -22.57 56.43 Favored 'General case' 0 CA--C 1.491 -1.319 0 C-N-CA 116.434 -2.106 . . . . 10.0 108.638 179.21 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.477 ' O ' HG22 ' A' ' 40' ' ' VAL . 12.3 m0 -58.83 -26.81 64.51 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 105.265 -2.124 . . . . 10.0 105.265 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -55.23 -48.87 73.28 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-O 123.807 1.765 . . . . 10.0 109.866 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -55.82 -32.44 63.57 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 110.425 -3.08 . . . . 10.0 112.785 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.405 ' O ' ' HD2' ' A' ' 81' ' ' PHE . . . -87.84 -16.97 32.57 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 120.397 -0.521 . . . . 10.0 110.747 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 36' ' ' TRP . 16.2 t -91.85 34.79 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 N-CA-C 107.659 -1.237 . . . . 10.0 107.659 174.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.3 12.6 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.303 1.594 . . . . 10.0 115.303 -176.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.597 ' HD3' ' CE1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -80.09 145.95 32.15 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.888 -0.508 . . . . 10.0 109.798 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.4 tttt -53.69 -54.38 38.69 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.535 0.683 . . . . 10.0 109.797 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.435 ' OD1' ' HG3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -82.82 66.28 8.36 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 115.291 -0.868 . . . . 10.0 108.957 179.176 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.622 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -50.25 120.87 4.88 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.65 -0.87 . . . . 10.0 108.65 178.342 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.622 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -58.63 -172.77 0.04 OUTLIER Pre-proline 0 C--O 1.22 -0.484 0 C-N-CA 124.464 1.105 . . . . 10.0 111.282 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.733 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 94.4 Cg_exo -44.74 175.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.967 1.778 . . . . 10.0 112.383 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.59 HG22 " H2'" ' C' ' 21' ' ' ' DG' . 41.3 p -83.58 -153.35 0.13 Allowed 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 103.598 -2.742 . . . . 10.0 103.598 172.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.51 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -90.08 -2.09 58.05 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 112.387 -2.188 . . . . 10.0 113.647 -174.083 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.722 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 83.8 m-85 -78.04 -31.04 50.15 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 105.253 -2.128 . . . . 10.0 105.253 174.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.733 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 14.1 p -64.89 173.31 2.37 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 120.648 1.567 . . . . 10.0 109.39 174.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.686 ' C ' HD13 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -111.91 162.58 15.17 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.226 -0.897 . . . . 10.0 109.971 -178.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.686 HD13 ' C ' ' A' ' 52' ' ' SER . 2.2 mp -131.06 159.1 43.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 C-N-CA 124.725 1.21 . . . . 10.0 108.23 -175.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.537 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.1 p -106.44 152.73 23.25 Favored 'General case' 0 CA--C 1.555 1.136 0 CA-C-N 119.439 1.018 . . . . 10.0 112.108 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.738 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 24.7 p -47.97 -42.34 27.4 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 118.689 2.848 . . . . 10.0 118.689 -173.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -14.75 2.7 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 114.287 1.217 . . . . 10.0 114.287 -176.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.407 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 74.7 m-70 -84.13 -16.98 41.63 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 114.568 1.322 . . . . 10.0 114.568 -177.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.5 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -126.65 174.16 8.93 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 118.323 0.51 . . . . 10.0 109.707 -179.206 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.63 141.6 60.55 Favored Pre-proline 0 N--CA 1.431 -1.387 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 10.2 Cg_endo -51.24 -32.75 42.09 Favored 'Trans proline' 0 C--N 1.324 -0.727 0 C-N-CA 123.433 2.756 . . . . 10.0 112.921 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -60.94 -43.75 98.21 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 114.553 -1.203 . . . . 10.0 108.722 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.475 ' OG ' ' HB2' ' A' ' 73' ' ' LYS . 1.5 t -93.31 3.17 56.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.815 -1.539 . . . . 10.0 114.085 -174.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.611 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -36.79 -60.11 0.64 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.431 1.271 . . . . 10.0 114.431 -179.227 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 1.1 pttt -168.97 -142.31 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 118.398 0.544 . . . . 10.0 112.126 -178.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.433 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 2.9 ptm180 -58.12 -14.5 6.95 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.121 0.786 . . . . 10.0 113.121 -178.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -85.06 7.6 20.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.134 0.492 . . . . 10.0 109.727 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.801 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.7 t -70.88 -105.92 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.411 -0.813 . . . . 10.0 111.906 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.451 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -103.1 -69.34 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.381 0.511 . . . . 10.0 112.381 -178.701 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -100.49 -71.94 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.99 -0.55 . . . . 10.0 112.359 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.402 ' HB2' ' HE2' ' A' ' 70' ' ' LYS . 3.4 tppt? -145.72 -2.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.665 -0.414 . . . . 10.0 111.714 -178.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.801 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -140.42 -161.74 1.25 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 -178.709 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.509 ' C ' ' HG ' ' A' ' 67' ' ' SER . 4.2 mp -63.33 -169.0 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 123.691 1.71 . . . . 10.0 110.655 -177.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.666 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -86.2 101.72 13.27 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 103.066 -2.939 . . . . 10.0 103.066 171.773 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.62 -10.89 0.07 Allowed 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 115.16 1.541 . . . . 10.0 115.16 -177.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.23 18.38 21.15 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.903 -1.044 . . . . 10.0 111.096 176.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.41 ' HB1' ' OG ' ' A' ' 62' ' ' SER . . . -141.6 144.86 34.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 123.971 1.843 . . . . 10.0 110.722 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.3 150.96 46.51 Favored Pre-proline 0 N--CA 1.45 -0.472 0 CA-C-N 110.445 -3.071 . . . . 10.0 108.015 -178.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.465 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 1.8 Cg_endo -46.33 121.46 4.62 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.369 2.713 . . . . 10.0 108.099 177.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.12 -12.23 7.44 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.043 -1.435 . . . . 10.0 109.852 177.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.2 mm -89.1 6.68 3.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.181 -176.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 2.6 m-30 -40.0 -50.73 2.56 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.016 1.117 . . . . 10.0 114.016 -177.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.405 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -171.8 157.25 4.5 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.785 0.326 . . . . 10.0 110.961 -178.513 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -68.12 -54.27 19.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.228 -0.897 . . . . 10.0 109.413 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -161.12 -73.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.987 -0.552 . . . . 10.0 110.337 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 4.2 p -151.23 136.35 10.37 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.619 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 16.2 Cg_exo -66.65 176.0 4.7 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.001 2.467 . . . . 10.0 111.805 178.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.402 ' OXT' ' HD3' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.931 0 CA-C-O 117.979 -1.01 . . . . 10.0 109.721 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.841 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.432 -0.517 0 O4'-C1'-C2' 106.913 0.739 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.841 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-N19 109.12 1.65 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.773 ' H71' H2'' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O4'-C1'-N19 109.076 1.595 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.607 ' C7 ' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.049 0 O4'-C1'-N19 108.893 1.366 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.482 H2'' ' C7 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.591 0 O4'-C1'-C2' 107.025 0.841 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.685 " H1'" ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C1'-N19 108.728 1.16 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.685 ' C8 ' " H1'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 O4'-C1'-N19 109.355 1.943 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.68 ' C7 ' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C5'-C4'-C3' 112.797 -1.269 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.473 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.421 -1.181 0 O4'-C1'-N19 109.451 2.064 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.536 " H2'" HG11 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.42 -1.227 0 O4'-C1'-N19 109.517 2.146 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.701 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.065 0 O3'-P-O5' 100.806 -1.681 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.701 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 C2'-C3'-O3' 113.641 1.126 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.698 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-C2' 106.991 0.81 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.814 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 O4'-C1'-C2' 107.217 1.015 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.061 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 0.977 0 O4'-C1'-N19 109.81 2.512 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.061 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.453 2.518 2 N19-C1'-C2' 103.904 -6.435 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.729 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 O4'-C1'-N19 109.193 1.741 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.755 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.671 0 O4'-C1'-N19 108.767 1.209 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.788 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 O4'-C1'-C2' 107.063 0.876 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.788 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O4'-C1'-C2' 107.539 1.308 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.59 " H2'" HG22 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C1'-C2' 107.394 1.176 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.68 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.419 -1.295 0 O4'-C1'-N19 109.199 1.748 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.722 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O3'-P-O5' 100.806 -1.681 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 O4'-C1'-N19 109.318 1.898 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . 0.54 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.061 0 O4'-C1'-N19 108.812 1.265 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.625 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 O3'-P-O5' 101.308 -1.417 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.67 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C1'-C2' 107.142 0.947 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.67 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-N19 108.976 1.471 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.463 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 O4'-C1'-N19 108.718 1.148 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.495 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C4'-C3' 104.452 -1.148 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.513 H2'' ' C6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 O4'-C1'-C2' 107.174 0.976 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.513 ' C6 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C1'-C2' 107.054 0.867 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.45 ' HG3' ' CB ' ' A' ' 51' ' ' SER . 58.9 mtp . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.564 HG13 " H2'" ' B' ' 10' ' ' ' DG' . 0.6 OUTLIER -71.62 -28.37 31.02 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 109.014 -0.735 . . . . 10.0 109.014 177.573 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -62.47 -44.19 96.99 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.632 -1.247 . . . . 10.0 107.632 177.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.617 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -175.28 158.14 2.32 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.247 -0.888 . . . . 10.0 110.51 178.778 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.518 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 4.1 m -79.37 164.94 23.63 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 106.894 -1.521 . . . . 10.0 106.894 -176.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.551 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 5.4 t -74.77 2.42 10.13 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 113.273 -1.785 . . . . 10.0 111.613 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.92 -147.79 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.69 0.757 . . . . 10.0 112.49 177.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.505 ' CD1' ' HD3' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -112.2 69.28 0.69 Allowed 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.526 -0.916 . . . . 10.0 108.526 -179.303 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.87 34.7 8.79 Favored Glycine 0 N--CA 1.444 -0.804 0 N-CA-C 115.346 0.898 . . . . 10.0 115.346 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.4 t -90.67 77.3 6.37 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 117.75 0.775 . . . . 10.0 113.024 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.617 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 68.6 mttt -75.09 63.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.851 -1.166 . . . . 10.0 107.851 175.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.26 26.35 1.22 Allowed 'General case' 0 C--N 1.318 -0.788 0 O-C-N 121.473 -0.767 . . . . 10.0 111.275 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.454 ' HD3' ' H ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -24.94 129.57 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.94 1.4 . . . . 10.0 110.471 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.454 ' H ' ' HD3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -31.49 108.98 0.05 Allowed 'General case' 0 N--CA 1.471 0.598 0 O-C-N 124.169 0.918 . . . . 10.0 113.379 -176.041 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.403 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 18.6 t70 -137.08 108.7 6.97 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 106.108 -1.812 . . . . 10.0 106.108 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -22.63 66.58 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.12 -0.945 . . . . 10.0 110.432 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -61.76 -27.44 68.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.438 -1.256 . . . . 10.0 108.871 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.403 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -103.91 142.29 24.29 Favored Pre-proline 0 N--CA 1.447 -0.589 0 CA-C-N 114.237 -1.347 . . . . 10.0 107.943 178.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -88.22 77.66 1.51 Allowed 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 121.553 1.502 . . . . 10.0 115.459 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.463 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 1.8 m -144.92 146.92 19.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 121.222 0.534 . . . . 10.0 111.975 177.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.04 168.53 9.07 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.058 -1.09 . . . . 10.0 108.058 176.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.418 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -116.03 102.75 9.92 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 117.478 2.399 . . . . 10.0 117.478 -176.595 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.678 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.18 157.97 17.47 Favored 'General case' 0 C--O 1.196 -1.727 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 -172.229 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.465 ' NZ ' ' H73' ' B' ' 8' ' ' ' DT' . 5.5 mtpt -95.91 165.53 12.23 Favored 'General case' 0 C--N 1.311 -1.068 0 C-N-CA 119.083 -1.047 . . . . 10.0 111.839 178.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.779 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.6 m-85 -56.62 156.47 12.0 Favored Pre-proline 0 N--CA 1.47 0.55 0 CA-C-N 118.913 0.778 . . . . 10.0 111.749 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.604 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 63.9 Cg_endo -77.85 67.63 7.94 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.092 2.528 . . . . 10.0 109.12 177.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 mt -50.22 -36.69 31.95 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-O 124.389 2.042 . . . . 10.0 115.236 -176.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.1 p -88.43 1.05 55.53 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 109.554 -3.476 . . . . 10.0 113.093 -175.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.478 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.78 59.19 44.29 Favored Pre-proline 0 N--CA 1.441 -0.877 0 N-CA-C 105.916 -1.883 . . . . 10.0 105.916 175.035 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.461 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.4 Cg_endo -47.15 -55.84 3.56 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.871 3.047 . . . . 10.0 115.933 -174.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m -50.97 -44.93 60.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.418 0.628 . . . . 10.0 109.95 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.443 HD22 ' O ' ' A' ' 76' ' ' ALA . 1.1 tm? -70.01 -35.79 74.62 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.981 -1.009 . . . . 10.0 108.477 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.779 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 35.4 t -62.19 -36.91 83.34 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 106.965 -1.494 . . . . 10.0 106.965 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -26.12 65.49 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 113.826 1.047 . . . . 10.0 113.826 -176.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.565 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -74.71 -22.08 59.03 Favored 'General case' 0 CA--C 1.493 -1.239 0 C-N-CA 115.774 -2.371 . . . . 10.0 109.187 178.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.504 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.7 m0 -58.53 -28.74 65.73 Favored 'General case' 0 N--CA 1.437 -1.111 0 N-CA-C 105.865 -1.902 . . . . 10.0 105.865 178.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -55.18 -47.96 74.48 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 123.628 1.68 . . . . 10.0 110.096 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.95 -34.9 63.68 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 110.643 -2.98 . . . . 10.0 112.38 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.418 ' O ' ' HD2' ' A' ' 81' ' ' PHE . . . -87.33 -16.18 35.82 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 120.382 -0.527 . . . . 10.0 110.055 -179.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.521 ' C ' ' H ' ' A' ' 42' ' ' ARG . 26.2 t -91.93 35.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 107.55 -1.278 . . . . 10.0 107.55 174.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.61 9.56 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 114.488 -1.233 . . . . 10.0 114.148 -178.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.521 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -73.57 135.68 43.94 Favored 'General case' 0 C--N 1.312 -1.056 0 O-C-N 122.15 -0.344 . . . . 10.0 110.359 179.615 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.659 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -51.84 -47.32 64.44 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.568 0.699 . . . . 10.0 109.505 178.685 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.659 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -87.21 66.5 9.28 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 114.911 -1.04 . . . . 10.0 108.704 179.12 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.649 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 1.8 t80 -49.36 120.23 3.94 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.423 -0.808 . . . . 10.0 109.531 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.649 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -61.22 -172.08 0.04 OUTLIER Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 114.634 -1.166 . . . . 10.0 110.242 179.088 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.727 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 85.0 Cg_exo -45.4 175.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.123 1.882 . . . . 10.0 112.407 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.0 p -82.73 -153.65 0.12 Allowed 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 103.435 -2.802 . . . . 10.0 103.435 173.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.08 -4.64 57.24 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 111.552 -2.567 . . . . 10.0 113.765 -173.61 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.72 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 58.3 m-85 -77.43 -30.92 53.65 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 105.145 -2.168 . . . . 10.0 105.145 174.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.727 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 15.3 p -64.47 173.59 2.05 Favored 'General case' 0 C--N 1.314 -0.959 0 C-N-CA 117.572 -1.651 . . . . 10.0 109.072 174.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.567 ' C ' HD11 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.67 163.2 13.7 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.52 -1.218 . . . . 10.0 110.209 -178.044 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.567 HD11 ' C ' ' A' ' 52' ' ' SER . 3.4 mp -131.56 157.78 43.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 107.373 -1.343 . . . . 10.0 107.373 -176.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.614 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 14.0 p -107.14 160.3 15.68 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.842 1.201 . . . . 10.0 111.352 178.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.678 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.5 p -56.3 -37.33 69.75 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 118.863 2.912 . . . . 10.0 118.863 -172.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -14.64 2.16 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.132 1.16 . . . . 10.0 114.132 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.402 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 92.8 m-70 -86.76 -15.59 38.92 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.745 1.387 . . . . 10.0 114.745 -177.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.522 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -138.58 140.8 39.15 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 118.418 0.554 . . . . 10.0 111.441 -178.878 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -43.5 136.08 3.31 Favored Pre-proline 0 N--CA 1.43 -1.436 0 CA-C-N 114.186 -1.37 . . . . 10.0 110.847 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.707 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 8.3 Cg_endo -49.8 -29.23 19.76 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 122.971 2.447 . . . . 10.0 112.158 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.647 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -61.1 -48.6 80.93 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 113.508 -1.678 . . . . 10.0 107.5 175.118 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.57 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -91.19 6.38 45.32 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 114.06 1.133 . . . . 10.0 114.06 -174.79 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.707 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -38.71 -59.99 0.88 Allowed 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.896 -1.047 . . . . 10.0 113.545 179.787 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.614 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 15.0 pttp -175.49 -135.36 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.374 0.509 . . . . 10.0 112.374 -177.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -58.46 -13.4 5.43 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.385 0.674 . . . . 10.0 112.784 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -83.08 5.06 23.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.702 0.287 . . . . 10.0 110.431 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.863 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.4 t -68.63 -110.36 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.362 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.459 ' N ' ' OG ' ' A' ' 67' ' ' SER . 9.7 t30 -101.4 -69.04 0.79 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.174 0.511 . . . . 10.0 111.495 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -94.63 -74.22 0.55 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.191 0.812 . . . . 10.0 113.191 -177.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HE2' ' HB2' ' A' ' 70' ' ' LYS . 1.7 tppt? -147.99 0.53 0.63 Allowed 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.056 0.391 . . . . 10.0 112.056 -178.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.863 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -139.38 -162.96 1.4 Allowed 'General case' 0 C--O 1.212 -0.888 0 CA-C-O 118.241 -0.885 . . . . 10.0 109.407 -179.557 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.604 ' CD1' ' HB3' ' A' ' 26' ' ' PRO . 3.1 mp -65.29 -172.15 0.09 Allowed 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 122.909 1.338 . . . . 10.0 110.458 -176.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.653 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 2.1 mmmm -89.04 103.11 15.75 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 103.73 -2.692 . . . . 10.0 103.73 170.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.478 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 2.1 pm0 -50.6 -4.57 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 115.915 1.82 . . . . 10.0 115.915 -178.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.426 ' H ' ' C ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -109.09 17.8 21.27 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.576 176.435 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.443 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -143.66 146.65 33.4 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 123.42 1.581 . . . . 10.0 110.639 -178.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.499 HG23 ' CD1' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -148.72 150.32 32.94 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 110.848 -2.887 . . . . 10.0 108.558 -177.514 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.489 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 1.5 Cg_endo -46.35 121.73 4.89 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.622 2.882 . . . . 10.0 107.896 177.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -125.46 -10.99 6.87 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.293 -1.321 . . . . 10.0 109.762 176.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.464 HG22 HD12 ' A' ' 80' ' ' ILE . 0.9 OUTLIER -90.14 5.75 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.126 -176.725 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.418 ' HD2' ' O ' ' A' ' 39' ' ' ALA . 2.6 m-30 -39.35 -51.18 2.07 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.612 0.967 . . . . 10.0 113.612 -177.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.454 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -168.55 160.08 10.66 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 -179.492 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -73.03 -58.92 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.267 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.08 -64.79 0.14 Allowed 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.063 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.436 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.8 p -166.46 132.87 1.96 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.301 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 2.6 Cg_exo -73.04 171.27 17.89 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.939 2.426 . . . . 10.0 111.3 177.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.497 ' O ' ' HD3' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.812 -0.613 . . . . 10.0 110.718 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.806 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C4'-C3'-C2' 102.39 -0.81 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.806 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-N19 108.713 1.142 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.681 H2'' ' H72' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-N19 108.658 1.073 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.681 ' H72' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C1'-N19 108.613 1.017 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.671 H2'' ' H72' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 O4'-C1'-N19 108.56 0.95 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.671 ' H72' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-N19 108.661 1.076 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.729 " H2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.587 0 O4'-C1'-N19 109.102 1.628 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.729 ' H71' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-N19 108.918 1.398 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.454 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.239 0 O4'-C1'-N19 109.475 2.094 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.564 " H2'" HG13 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.416 -1.501 0 O4'-C1'-N19 109.473 2.092 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.67 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O3'-P-O5' 99.307 -2.47 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.67 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.005 0 O4'-C1'-N19 108.646 1.057 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.591 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 P-O5'-C5' 119.369 -0.957 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.764 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 O4'-C1'-C2' 107.011 0.828 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.111 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C1'-N19 109.4 2.0 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.111 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.451 2.38 2 N19-C1'-C2' 103.997 -6.377 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.695 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-N19 109.063 1.579 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.711 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C1'-N19 108.624 1.029 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.746 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 O4'-C1'-C2' 107.065 0.878 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.746 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.966 0 N19-C1'-C2' 116.54 1.463 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.468 ' OP2' ' HA ' ' A' ' 47' ' ' PRO . . . . . . . . 0 O5'--C5' 1.424 -0.999 0 O4'-C1'-C2' 107.09 0.9 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.664 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.419 -1.323 0 O4'-C1'-N19 109.336 1.921 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.72 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 O3'-P-O5' 101.011 -1.573 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-N19 109.176 1.72 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . 0.447 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.038 0 O4'-C1'-C2' 107.279 1.072 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.447 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 P-O5'-C5' 119.085 -1.135 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.687 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 O4'-C4'-C3' 104.464 -1.136 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.687 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 O4'-C1'-C2' 107.046 0.86 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.634 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 O4'-C4'-C3' 104.612 -0.988 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.541 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 P-O5'-C5' 119.264 -1.023 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.531 H2'' ' C6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 O4'-C1'-C2' 107.313 1.103 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.531 ' C6 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 O4'-C1'-C2' 107.119 0.926 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.594 ' HA ' ' H8 ' ' B' ' 10' ' ' ' DG' . 2.7 ptp . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.687 HG11 " H3'" ' B' ' 10' ' ' ' DG' . 7.5 m -79.52 -11.12 12.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 112.341 0.497 . . . . 10.0 112.341 -178.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.524 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 17.2 mt-30 -75.79 -68.37 0.58 Allowed 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 118.238 -1.385 . . . . 10.0 110.532 -178.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.565 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 174.41 173.78 0.19 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.022 0.439 . . . . 10.0 111.441 179.117 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.554 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -86.17 161.14 18.99 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 107.021 -1.474 . . . . 10.0 107.021 -177.673 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.559 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 10.6 t -69.67 3.28 2.57 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 113.562 -1.654 . . . . 10.0 112.733 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.71 -152.71 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.806 0.812 . . . . 10.0 112.752 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.429 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 1.0 OUTLIER -108.85 71.33 0.77 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 -178.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.74 28.56 38.13 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.523 -0.846 . . . . 10.0 113.083 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.3 t -83.58 74.33 10.13 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 117.92 0.86 . . . . 10.0 111.671 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.565 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 28.1 mmtp -68.75 63.87 0.11 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.934 -1.136 . . . . 10.0 107.934 176.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.53 30.67 0.7 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 118.585 0.629 . . . . 10.0 112.019 -179.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.532 ' HG2' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -22.93 134.68 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 O-C-N 125.248 1.592 . . . . 10.0 111.958 179.619 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.545 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -48.0 113.01 0.65 Allowed 'General case' 0 C--N 1.347 0.471 0 CA-C-O 122.185 0.993 . . . . 10.0 110.031 -178.595 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -140.57 113.69 8.44 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 105.061 -2.2 . . . . 10.0 105.061 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -17.26 37.56 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.669 0.747 . . . . 10.0 110.79 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.98 -27.65 66.77 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.523 -1.217 . . . . 10.0 109.58 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.68 147.66 33.94 Favored Pre-proline 0 C--N 1.328 -0.361 0 N-CA-C 108.454 -0.943 . . . . 10.0 108.454 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -90.69 75.42 0.85 Allowed 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 121.552 1.502 . . . . 10.0 115.867 -177.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.403 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 1.9 m -146.21 149.83 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 121.261 0.553 . . . . 10.0 112.311 178.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.7 p -108.43 168.52 9.26 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.114 -0.948 . . . . 10.0 108.595 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.545 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -120.03 101.51 7.9 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 117.045 2.239 . . . . 10.0 117.045 -177.772 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.712 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.19 163.0 13.38 Favored 'General case' 0 C--O 1.198 -1.61 0 N-CA-C 115.44 1.644 . . . . 10.0 115.44 -170.664 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.56 ' CE ' ' H73' ' B' ' 8' ' ' ' DT' . 24.8 mtpt -95.69 165.02 12.52 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.383 -0.826 . . . . 10.0 112.587 178.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.773 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -59.99 157.55 30.44 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 118.806 0.73 . . . . 10.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.658 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 92.4 Cg_endo -75.98 68.7 6.47 Favored 'Trans proline' 0 CA--C 1.514 -0.483 0 C-N-CA 122.68 2.253 . . . . 10.0 109.329 177.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 27' ' ' LEU . 12.4 mt -50.83 -35.18 31.01 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 124.494 2.092 . . . . 10.0 115.113 -177.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 p -89.84 -1.66 58.04 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 109.304 -3.589 . . . . 10.0 113.231 -176.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.06 58.58 39.19 Favored Pre-proline 0 N--CA 1.447 -0.622 0 N-CA-C 106.127 -1.805 . . . . 10.0 106.127 175.566 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.507 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 7.3 Cg_endo -47.87 -53.44 6.6 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.766 2.977 . . . . 10.0 115.579 -174.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.8 -46.7 64.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.319 0.58 . . . . 10.0 109.69 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.426 HD21 ' O ' ' A' ' 32' ' ' LEU . 1.4 tm? -71.14 -32.13 68.59 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.268 -1.012 . . . . 10.0 108.268 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.773 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 49.9 t -63.24 -37.58 87.8 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 107.232 -1.395 . . . . 10.0 107.232 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -25.65 66.27 Favored 'General case' 0 N--CA 1.428 -1.528 0 N-CA-C 113.52 0.933 . . . . 10.0 113.52 -176.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -75.24 -23.62 57.56 Favored 'General case' 0 CA--C 1.491 -1.292 0 C-N-CA 116.643 -2.023 . . . . 10.0 109.21 179.554 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.639 ' O ' HG22 ' A' ' 40' ' ' VAL . 12.4 m0 -57.5 -30.3 65.01 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 105.856 -1.905 . . . . 10.0 105.856 178.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -54.79 -48.62 72.51 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 123.418 1.58 . . . . 10.0 110.005 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -54.45 -35.71 63.29 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 110.647 -2.979 . . . . 10.0 112.5 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.41 ' C ' ' H ' ' A' ' 41' ' ' ARG . . . -87.63 -15.18 38.02 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.616 -0.434 . . . . 10.0 110.985 -178.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 36' ' ' TRP . 15.3 t -92.32 35.49 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 107.268 -1.382 . . . . 10.0 107.268 173.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.41 ' H ' ' C ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -55.3 14.33 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 115.707 1.743 . . . . 10.0 115.707 -178.039 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.461 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -97.14 148.06 23.43 Favored 'General case' 0 C--N 1.314 -0.947 0 O-C-N 121.47 -0.769 . . . . 10.0 111.313 -179.854 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -56.22 -42.6 77.53 Favored 'General case' 0 CA--C 1.517 -0.291 0 O-C-N 123.69 0.619 . . . . 10.0 109.986 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -79.69 63.87 4.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.022 -0.99 . . . . 10.0 109.681 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.515 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 12.6 t80 -62.78 117.87 6.92 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.205 -1.035 . . . . 10.0 108.205 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.559 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -59.38 -173.3 0.04 OUTLIER Pre-proline 0 C--O 1.218 -0.586 0 CA-C-N 114.835 -1.075 . . . . 10.0 110.936 179.161 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.779 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 86.1 Cg_exo -46.79 176.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.656 1.571 . . . . 10.0 112.07 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.691 HG22 " H2'" ' C' ' 21' ' ' ' DG' . 23.7 p -96.92 161.46 13.83 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 102.854 -3.017 . . . . 10.0 102.854 172.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.598 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -27.23 -16.44 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 O-C-N 127.773 3.171 . . . . 10.0 118.083 175.352 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.738 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 56.4 m-85 -75.49 -28.94 59.4 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 104.359 -2.46 . . . . 10.0 104.359 173.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.779 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 5.7 p -65.61 173.86 2.56 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 120.738 1.608 . . . . 10.0 108.624 172.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.509 ' C ' HD11 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -112.21 164.45 13.19 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.108 -0.951 . . . . 10.0 110.502 -179.152 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.545 HD11 ' N ' ' A' ' 53' ' ' ILE . 3.4 mp -132.65 159.25 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.942 1.297 . . . . 10.0 108.455 -176.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.593 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 15.2 p -105.53 156.31 18.35 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 119.735 1.152 . . . . 10.0 111.917 179.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.712 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.4 p -52.62 -40.79 63.11 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 118.684 2.846 . . . . 10.0 118.684 -173.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -15.31 1.05 Allowed 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 114.399 1.259 . . . . 10.0 114.399 -177.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.552 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 90.9 m-70 -86.23 -16.36 37.93 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 114.659 1.355 . . . . 10.0 114.659 -177.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.488 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -135.95 137.07 40.94 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-N 118.288 0.495 . . . . 10.0 110.921 -178.483 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 p -41.0 137.27 1.5 Allowed Pre-proline 0 N--CA 1.43 -1.456 0 O-C-N 124.83 1.331 . . . . 10.0 110.901 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.512 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.6 Cg_endo -50.54 -28.18 21.12 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 122.771 2.314 . . . . 10.0 111.765 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.517 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 5.3 m-20 -61.16 -49.84 75.59 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 113.84 -1.527 . . . . 10.0 107.191 174.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.615 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -87.9 6.57 34.97 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 114.003 1.112 . . . . 10.0 114.003 -173.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.512 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -39.07 -58.32 1.15 Allowed 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.587 0.958 . . . . 10.0 113.587 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.495 ' HZ1' ' CD ' ' A' ' 66' ' ' GLU . 11.7 pttp -176.35 -135.58 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.434 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 1.6 ptm180 -62.18 -13.69 30.01 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.468 0.544 . . . . 10.0 112.468 -178.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.495 ' CD ' ' HZ1' ' A' ' 64' ' ' LYS . 41.2 mp0 -84.24 6.93 20.84 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 178.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.745 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 3.9 t -67.84 -116.98 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.115 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.457 ' N ' ' OG ' ' A' ' 67' ' ' SER . 1.3 m-20 -103.09 -69.84 0.78 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -89.56 -72.3 0.56 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.621 0.6 . . . . 10.0 112.621 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 14.4 tppt? -146.4 -20.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.401 0.519 . . . . 10.0 112.401 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.745 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -124.42 -159.56 0.88 Allowed 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 108.834 -0.802 . . . . 10.0 108.834 -179.771 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.658 ' CD1' ' HB3' ' A' ' 26' ' ' PRO . 1.2 mp -62.54 -172.0 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 122.422 1.106 . . . . 10.0 110.041 -176.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.636 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 5.3 mmmm -87.34 102.15 14.24 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 102.928 -2.99 . . . . 10.0 102.928 170.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.401 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -53.08 -3.87 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 115.519 1.674 . . . . 10.0 115.519 -178.186 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.425 ' H ' ' C ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -107.33 18.83 21.13 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 114.794 -1.094 . . . . 10.0 109.92 175.603 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.476 ' HB1' ' OG ' ' A' ' 62' ' ' SER . . . -145.12 143.71 30.53 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 123.61 1.671 . . . . 10.0 109.6 -179.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.51 HG23 ' CD1' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -147.61 148.28 30.36 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 110.839 -2.892 . . . . 10.0 107.665 -179.115 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.552 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 1.7 Cg_endo -43.95 118.28 1.53 Allowed 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 123.398 2.732 . . . . 10.0 107.486 177.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.17 -9.24 7.62 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 112.988 -1.914 . . . . 10.0 109.052 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -96.2 7.61 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-N 115.282 -0.872 . . . . 10.0 110.817 -176.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.506 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.3 m-30 -39.91 -52.89 2.38 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 113.891 1.071 . . . . 10.0 113.891 -177.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -163.57 171.74 15.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.712 0.291 . . . . 10.0 110.779 -179.381 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -79.44 -58.74 3.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.603 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.04 -69.23 0.1 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.554 179.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.9 p -152.7 134.23 8.37 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.816 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -68.45 174.42 8.32 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.796 2.331 . . . . 10.0 112.036 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.077 -0.963 . . . . 10.0 109.363 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.916 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 O4'-C1'-C2' 107.009 0.826 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.916 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.016 0 O4'-C1'-N19 108.688 1.11 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.768 H2'' ' H72' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 O4'-C1'-N19 108.935 1.419 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.768 ' H72' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 O4'-C1'-C2' 107.143 0.948 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.616 H2'' ' C7 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O4'-C1'-N19 108.739 1.174 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.616 ' C7 ' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-C2' 107.343 1.13 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.694 " H2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-N19 109.174 1.717 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.694 ' H71' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 C5'-C4'-C3' 112.268 -1.621 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.596 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.389 0 O4'-C1'-N19 109.712 2.39 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.687 " H3'" HG11 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.422 -1.136 0 O3'-P-O5' 99.785 -2.219 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.481 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O3'-P-O5' 101.49 -1.321 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.554 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 C2'-C3'-O3' 112.988 0.885 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.554 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 O4'-C1'-C2' 107.186 0.987 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.882 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 O4'-C1'-C2' 107.045 0.859 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.082 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 O4'-C1'-N19 109.709 2.386 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.082 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.45 2.329 2 N19-C1'-C2' 103.654 -6.591 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.69 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-N19 108.893 1.366 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.742 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O4'-C1'-N19 108.976 1.47 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.742 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 O4'-C1'-C2' 107.235 1.032 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.68 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 O4'-C1'-C2' 107.44 1.218 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.691 " H2'" HG22 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 O4'-C1'-C2' 107.062 0.875 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.699 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.42 -1.235 0 O4'-C1'-N19 109.441 2.051 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.738 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 O4'-C1'-N19 109.189 1.736 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-N19 109.238 1.798 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . 0.536 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.02 0 O4'-C1'-N19 108.976 1.47 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.536 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 P-O5'-C5' 118.841 -1.287 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.596 H2'' ' C6 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-C2' 107.092 0.902 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.596 ' C6 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 O4'-C1'-N19 109.177 1.722 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.483 H2'' ' C8 ' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-C2' 107.094 0.903 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.483 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 O4'-C4'-C3' 104.615 -0.985 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.446 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 O4'-C1'-C2' 107.281 1.074 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.446 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.422 -1.118 0 O4'-C1'-C2' 106.964 0.786 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.588 ' HE3' ' OE1' ' A' ' 3' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.678 ' CG1' " H2'" ' B' ' 10' ' ' ' DG' . 0.6 OUTLIER -68.05 -31.36 51.51 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.707 0 CA-C-N 117.847 0.294 . . . . 10.0 111.118 -179.013 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.588 ' OE1' ' HE3' ' A' ' 1' ' ' MET . 36.0 mt-30 -54.28 -56.59 16.93 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 107.581 -1.266 . . . . 10.0 107.581 177.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.562 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER 179.28 169.78 1.0 Allowed 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.324 -0.853 . . . . 10.0 110.077 177.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.6 m -78.39 163.32 25.75 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 106.722 -1.584 . . . . 10.0 106.722 -176.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.669 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 29.3 t -74.06 0.57 13.35 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 113.216 -1.811 . . . . 10.0 111.078 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.95 -147.47 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.865 0.84 . . . . 10.0 112.747 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.581 ' CE1' ' HD3' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -116.34 73.58 0.86 Allowed 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 121.187 -0.946 . . . . 10.0 109.937 -177.835 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.23 32.86 21.91 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.361 -0.836 . . . . 10.0 114.598 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.1 t -89.57 74.12 7.67 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.034 0.445 . . . . 10.0 112.103 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.562 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 22.7 mmtt -71.91 63.73 0.48 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.843 -1.169 . . . . 10.0 107.843 176.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -92.33 26.1 2.7 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 121.846 -0.534 . . . . 10.0 111.303 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -23.26 133.7 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.266 0 O-C-N 124.86 1.35 . . . . 10.0 111.569 -179.528 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -35.6 108.79 0.07 Allowed 'General case' 0 C--N 1.351 0.659 0 CA-C-O 121.738 0.78 . . . . 10.0 112.547 -176.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.457 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 13.7 t0 -133.29 106.76 7.73 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 105.986 -1.857 . . . . 10.0 105.986 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -62.77 -16.26 57.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.425 -1.262 . . . . 10.0 111.521 -178.881 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.457 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.8 OUTLIER -73.84 -23.84 59.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.005 -0.998 . . . . 10.0 108.633 179.539 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -102.97 150.74 38.09 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 114.688 -1.142 . . . . 10.0 108.005 179.369 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -91.1 75.21 0.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.535 0 N-CA-C 116.116 1.544 . . . . 10.0 116.116 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.41 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 2.4 m -144.12 146.17 20.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 O-C-N 121.351 -0.843 . . . . 10.0 111.589 177.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.97 168.03 9.4 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.497 -0.774 . . . . 10.0 108.979 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -117.1 102.31 9.2 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 117.772 2.508 . . . . 10.0 117.772 -176.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.675 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -108.19 163.14 13.43 Favored 'General case' 0 C--O 1.198 -1.649 0 N-CA-C 115.286 1.587 . . . . 10.0 115.286 -171.365 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.523 ' CE ' ' H73' ' B' ' 8' ' ' ' DT' . 29.2 mtpt -96.0 164.83 12.54 Favored 'General case' 0 C--N 1.311 -1.101 0 C-N-CA 119.415 -0.914 . . . . 10.0 111.173 177.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.709 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.08 158.88 12.12 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 118.981 0.81 . . . . 10.0 110.157 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.531 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 60.3 Cg_endo -79.08 68.04 8.4 Favored 'Trans proline' 0 N--CA 1.474 0.34 0 C-N-CA 122.856 2.371 . . . . 10.0 108.158 177.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 mt -49.29 -38.73 28.39 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 112.83 -1.987 . . . . 10.0 115.697 -176.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.5 p -86.73 -1.08 57.44 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 109.164 -3.653 . . . . 10.0 113.62 -175.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -128.04 59.29 39.08 Favored Pre-proline 0 N--CA 1.446 -0.627 0 N-CA-C 105.453 -2.054 . . . . 10.0 105.453 174.622 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -47.09 -55.68 3.7 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.736 2.957 . . . . 10.0 115.45 -173.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.79 -47.74 51.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.267 0.556 . . . . 10.0 110.088 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.452 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . 1.4 tm? -69.9 -33.96 72.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.155 -0.929 . . . . 10.0 108.57 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.709 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 10.7 t -61.91 -38.43 88.37 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 106.894 -1.521 . . . . 10.0 106.894 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -69.18 -24.09 64.01 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 113.709 1.003 . . . . 10.0 113.709 -175.481 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.51 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -75.3 -22.04 58.01 Favored 'General case' 0 CA--C 1.484 -1.583 0 C-N-CA 116.054 -2.258 . . . . 10.0 108.864 179.162 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.55 ' CD1' HG23 ' A' ' 77' ' ' VAL . 12.5 m0 -56.41 -29.09 61.12 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 106.117 -1.808 . . . . 10.0 106.117 177.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -53.62 -49.4 67.92 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 123.772 1.749 . . . . 10.0 110.237 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -55.17 -33.74 63.24 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 110.411 -3.086 . . . . 10.0 112.649 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.62 -14.92 38.76 Favored 'General case' 0 C--N 1.309 -1.191 0 C-N-CA 119.602 -0.839 . . . . 10.0 109.707 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.464 ' C ' ' H ' ' A' ' 42' ' ' ARG . 18.0 t -90.67 34.72 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 1.017 0 CA-C-O 122.691 1.234 . . . . 10.0 108.01 175.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.03 13.35 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 114.366 -1.288 . . . . 10.0 114.194 -177.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.581 ' HD3' ' CE1' ' A' ' 8' ' ' TYR . 12.4 tpt180 -76.89 142.27 40.21 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -52.97 -57.77 9.22 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.977 0.418 . . . . 10.0 110.175 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.71 69.21 9.44 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.657 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -49.89 121.18 5.02 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 114.871 -1.059 . . . . 10.0 109.433 178.02 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.669 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -61.31 -171.27 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.175 -0.92 . . . . 10.0 110.582 178.471 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.726 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 79.6 Cg_exo -44.95 176.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.352 2.035 . . . . 10.0 113.036 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.663 HG22 " H2'" ' C' ' 21' ' ' ' DG' . 43.2 p -83.69 -153.63 0.14 Allowed 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 103.238 -2.875 . . . . 10.0 103.238 172.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.618 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -89.97 -3.45 58.0 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 112.455 -2.157 . . . . 10.0 114.224 -173.863 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.701 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 67.7 m-85 -77.58 -31.1 52.88 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 105.383 -2.08 . . . . 10.0 105.383 174.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.726 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 14.2 p -63.44 172.35 2.06 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 117.926 -1.51 . . . . 10.0 109.032 174.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.662 ' C ' HD11 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -109.52 159.1 17.35 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.221 -1.354 . . . . 10.0 109.913 -178.702 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.662 HD11 ' C ' ' A' ' 52' ' ' SER . 2.1 mp -128.63 159.2 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 108.063 -1.088 . . . . 10.0 108.063 -176.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.584 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.4 p -105.74 157.72 17.24 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-N 119.345 0.975 . . . . 10.0 111.25 178.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.675 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.3 p -54.24 -39.33 66.69 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 118.834 2.902 . . . . 10.0 118.834 -173.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -14.87 1.65 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 114.384 1.253 . . . . 10.0 114.384 -176.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.408 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 87.4 m-70 -84.48 -16.68 41.63 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 114.651 1.352 . . . . 10.0 114.651 -177.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.581 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -127.41 174.65 8.83 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 -178.706 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.43 140.78 52.31 Favored Pre-proline 0 N--CA 1.428 -1.545 0 N-CA-C 108.972 -0.751 . . . . 10.0 108.972 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.689 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 8.2 Cg_endo -49.96 -32.04 29.26 Favored 'Trans proline' 0 C--N 1.329 -0.482 0 C-N-CA 123.328 2.686 . . . . 10.0 112.291 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.524 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 4.4 m-20 -57.91 -47.39 82.97 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.12 -1.4 . . . . 10.0 109.207 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.512 ' CB ' ' HG2' ' A' ' 73' ' ' LYS . 1.4 t -92.76 4.54 53.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 113.79 -1.55 . . . . 10.0 113.872 -174.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.689 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -39.05 -52.8 1.83 Allowed 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 114.301 1.223 . . . . 10.0 114.301 -179.739 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.424 ' HB2' ' H ' ' A' ' 65' ' ' ARG . 2.8 pttp -175.3 -140.61 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.361 0.874 . . . . 10.0 113.361 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.429 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 1.6 ptm180 -59.86 -8.54 2.24 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 -178.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.403 ' OE1' ' HG3' ' A' ' 65' ' ' ARG . 1.1 mp0 -90.63 5.52 47.62 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.18 -0.304 . . . . 10.0 110.18 178.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.839 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 5.5 t -68.49 -115.11 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.854 0 CA-C-O 120.813 0.34 . . . . 10.0 110.809 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.443 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -98.93 -70.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.943 -0.473 . . . . 10.0 111.744 -178.793 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -88.64 -74.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.366 -0.534 . . . . 10.0 112.261 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.51 ' HZ3' " H5'" ' C' ' 30' ' ' ' DA' . 12.1 tppt? -148.45 -1.24 0.54 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.45 0.643 . . . . 10.0 111.004 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.839 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -140.55 -161.58 1.22 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 118.209 -0.9 . . . . 10.0 109.217 -178.675 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.531 ' CD1' ' HB3' ' A' ' 26' ' ' PRO . 4.0 mp -63.13 -175.7 0.11 Allowed 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 122.57 1.176 . . . . 10.0 110.933 -176.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.738 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -88.36 106.2 18.09 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 104.391 -2.448 . . . . 10.0 104.391 171.119 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.473 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -50.82 -4.14 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 116.09 1.885 . . . . 10.0 116.09 -177.724 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.407 ' H ' ' C ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -106.74 14.06 27.26 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.473 -0.785 . . . . 10.0 110.974 175.58 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.48 141.71 39.42 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 123.722 1.725 . . . . 10.0 110.137 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.55 HG23 ' CD1' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -147.45 147.91 29.61 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 110.566 -3.015 . . . . 10.0 108.379 -178.901 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.454 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 2.1 Cg_endo -46.27 120.72 3.92 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 123.883 3.055 . . . . 10.0 108.875 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.0 t -125.26 -10.44 6.99 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 113.454 -1.703 . . . . 10.0 110.133 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -90.0 6.16 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 115.591 -0.731 . . . . 10.0 111.321 -176.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -41.06 -54.15 2.88 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.099 1.148 . . . . 10.0 114.099 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.97 162.3 15.55 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 -179.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -77.04 -54.02 7.07 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.355 -0.609 . . . . 10.0 109.355 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.12 -65.51 0.1 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.533 -0.758 . . . . 10.0 111.379 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.436 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 6.5 p -166.08 138.37 3.19 Favored Pre-proline 0 N--CA 1.451 -0.39 0 CA-C-O 120.81 0.338 . . . . 10.0 110.802 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 7.9 Cg_exo -70.6 159.34 53.12 Favored 'Trans proline' 0 CA--C 1.527 0.153 0 C-N-CA 123.083 2.522 . . . . 10.0 111.389 178.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.858 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.04 0 O4'-C1'-N19 108.612 1.015 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.858 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O4'-C1'-N19 108.966 1.458 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.891 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.047 0 O4'-C1'-N19 109.309 1.886 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.891 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 N19-C1'-C2' 115.995 1.122 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.604 H2'' ' C7 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O4'-C1'-N19 108.36 0.7 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.604 ' C7 ' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.071 0 O4'-C1'-N19 108.698 1.123 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.681 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.676 0 O4'-C1'-N19 109.224 1.781 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.681 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C5'-C4'-C3' 112.891 -1.206 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.524 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.392 0 O4'-C1'-N19 109.546 2.183 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.678 " H2'" ' CG1' ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.42 -1.26 0 O4'-C1'-N19 109.524 2.155 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.442 ' OP2' HG22 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 O3'-P-O5' 100.435 -1.877 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.507 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 P-O5'-C5' 118.956 -1.215 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.617 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C4'-C3'-C2' 102.437 -0.763 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.955 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O4'-C1'-C2' 107.054 0.868 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.008 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 1.023 0 O4'-C1'-N19 109.487 2.108 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.008 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.45 2.328 2 N19-C1'-C2' 104.143 -6.285 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.708 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C1'-N19 108.764 1.205 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.884 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-N19 108.571 0.964 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.884 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C1'-C2' 107.26 1.054 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.776 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C1'-C2' 107.599 1.362 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.663 " H2'" HG22 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 O4'-C1'-C2' 107.26 1.055 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.701 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.418 -1.394 0 O4'-C1'-N19 109.361 1.951 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.69 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.43 -0.651 0 O3'-P-O5' 101.301 -1.42 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O4'-C1'-N19 109.036 1.545 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . 0.514 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.42 -1.228 0 O4'-C1'-N19 109.232 1.79 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.514 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O3'-P-O5' 101.109 -1.522 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.696 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 O4'-C4'-C3' 104.617 -0.983 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.696 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-C2' 107.084 0.895 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.52 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 O4'-C1'-N19 108.96 1.451 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.51 " H5'" ' HZ3' ' A' ' 70' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-N19 108.731 1.164 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.538 H2'' ' C6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-C2' 107.09 0.9 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.538 ' C6 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C1'-C2' 107.188 0.989 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.834 ' SD ' ' HA ' ' A' ' 51' ' ' SER . 22.1 mmt . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 111.591 0.219 . . . . 10.0 111.591 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.485 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 7.1 p -70.81 -7.83 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.9 0.381 . . . . 10.0 111.333 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -49.33 -50.16 40.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.749 -0.659 . . . . 10.0 109.557 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.409 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -179.17 167.4 1.55 Allowed 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 178.766 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.63 166.27 23.22 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 107.454 -1.313 . . . . 10.0 107.454 -175.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.486 ' HA ' ' HB3' ' A' ' 46' ' ' LYS . 28.2 t -70.52 -1.11 9.94 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 112.106 -2.315 . . . . 10.0 111.255 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.76 -147.93 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 122.038 0.923 . . . . 10.0 110.905 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 11.7 p90 -147.25 74.66 1.34 Allowed 'General case' 0 N--CA 1.442 -0.859 0 O-C-N 121.142 -0.974 . . . . 10.0 109.389 178.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.06 -0.62 9.05 Favored Glycine 0 N--CA 1.439 -1.155 0 C-N-CA 120.06 -1.067 . . . . 10.0 113.838 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 12' ' ' ASN . 41.8 t -92.43 75.14 5.21 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 114.047 1.129 . . . . 10.0 114.047 -178.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 69.4 mttt -74.47 68.57 1.59 Allowed 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 106.688 -1.597 . . . . 10.0 106.688 175.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.429 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 1.5 m-20 -90.23 30.15 1.15 Allowed 'General case' 0 C--N 1.321 -0.646 0 O-C-N 121.524 -0.735 . . . . 10.0 112.645 -178.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.485 ' HD3' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -24.67 139.97 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 O-C-N 124.902 1.376 . . . . 10.0 112.698 -179.691 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.49 111.56 0.35 Allowed 'General case' 0 C--N 1.345 0.408 0 CA-C-O 122.243 1.02 . . . . 10.0 110.586 -177.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.405 ' CB ' ' HD2' ' A' ' 18' ' ' LYS . 1.2 t0 -139.57 108.92 6.13 Favored 'General case' 0 N--CA 1.434 -1.225 0 N-CA-C 105.168 -2.16 . . . . 10.0 105.168 177.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -58.08 -20.77 42.24 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.13 -0.941 . . . . 10.0 111.167 179.784 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.458 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 3.2 m-20 -65.84 -26.34 67.62 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.519 -1.218 . . . . 10.0 109.753 178.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HD2' ' CB ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -104.95 147.04 33.82 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 107.883 -1.155 . . . . 10.0 107.883 178.699 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -88.15 75.2 1.99 Allowed 'Trans proline' 0 N--CA 1.46 -0.495 0 N-CA-C 115.123 1.163 . . . . 10.0 115.123 -177.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.5 142.76 26.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 119.913 -0.715 . . . . 10.0 112.045 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -104.95 166.87 10.09 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 114.901 -1.045 . . . . 10.0 108.339 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -118.4 103.04 9.4 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 116.764 2.135 . . . . 10.0 116.764 -177.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.741 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.51 162.85 13.57 Favored 'General case' 0 C--O 1.193 -1.873 0 N-CA-C 115.078 1.51 . . . . 10.0 115.078 -170.652 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.822 ' HZ2' ' H73' ' B' ' 8' ' ' ' DT' . 1.5 mmmm -96.17 165.52 12.19 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 119.389 -0.924 . . . . 10.0 112.007 178.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.735 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -60.94 157.89 37.68 Favored Pre-proline 0 N--CA 1.47 0.574 0 CA-C-N 119.438 1.017 . . . . 10.0 110.967 178.806 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.542 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 53.8 Cg_endo -78.77 67.49 8.45 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.127 2.551 . . . . 10.0 109.037 178.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.9 mt -52.13 -34.51 44.82 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 124.335 2.017 . . . . 10.0 115.585 -176.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 p -84.98 -1.01 56.26 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 109.472 -3.513 . . . . 10.0 113.193 -175.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.57 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 5.7 ttm180 -134.66 64.37 63.1 Favored Pre-proline 0 N--CA 1.44 -0.949 0 N-CA-C 105.997 -1.853 . . . . 10.0 105.997 174.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.524 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.6 Cg_endo -48.84 -51.84 9.73 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 123.213 2.609 . . . . 10.0 114.472 -176.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -50.85 -47.62 60.27 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 -179.606 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.57 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 2.0 tm? -70.24 -33.72 71.98 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.479 -0.934 . . . . 10.0 108.479 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.735 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 50.3 t -61.71 -38.12 86.69 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 107.91 -1.145 . . . . 10.0 107.91 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -66.47 -27.51 67.86 Favored 'General case' 0 N--CA 1.422 -1.844 0 CA-C-N 114.591 -1.186 . . . . 10.0 113.484 -176.095 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.84 -23.21 58.41 Favored 'General case' 0 CA--C 1.493 -1.222 0 C-N-CA 115.767 -2.373 . . . . 10.0 109.109 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.659 ' O ' HG21 ' A' ' 40' ' ' VAL . 11.9 m0 -56.22 -31.94 63.96 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 105.663 -1.977 . . . . 10.0 105.663 177.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -54.47 -48.25 72.0 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 123.675 1.703 . . . . 10.0 110.635 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.09 -36.05 62.75 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 110.728 -2.942 . . . . 10.0 112.151 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.98 -14.49 36.46 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 119.792 -0.763 . . . . 10.0 110.861 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.659 HG21 ' O ' ' A' ' 36' ' ' TRP . 19.4 t -91.34 30.89 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 N-CA-C 107.914 -1.143 . . . . 10.0 107.914 175.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.53 13.88 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.485 1.291 . . . . 10.0 114.485 -178.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 14.1 tpt180 -81.31 151.23 28.13 Favored 'General case' 0 C--N 1.31 -1.141 0 O-C-N 121.985 -0.447 . . . . 10.0 111.112 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.53 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 15.3 ttpp -75.89 158.9 31.51 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 105.707 -1.96 . . . . 10.0 105.707 174.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.474 ' OD1' ' HG2' ' A' ' 43' ' ' LYS . 31.6 m-20 65.27 30.0 11.42 Favored 'General case' 0 N--CA 1.435 -1.222 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.632 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -29.09 124.96 0.12 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.856 1.263 . . . . 10.0 111.303 178.606 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.632 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 1.1 mttp -58.39 -173.14 0.04 OUTLIER Pre-proline 0 C--O 1.216 -0.669 0 C-N-CA 124.465 1.106 . . . . 10.0 111.063 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.769 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 87.8 Cg_exo -45.32 175.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 C-N-CA 122.495 2.13 . . . . 10.0 112.858 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.448 HG22 " H2'" ' C' ' 21' ' ' ' DG' . 13.9 p -101.76 159.74 15.07 Favored 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 102.772 -3.047 . . . . 10.0 102.772 172.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.608 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -25.86 -17.85 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 O-C-N 128.046 3.341 . . . . 10.0 118.032 175.627 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.694 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 81.0 m-85 -74.84 -27.31 60.22 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 104.619 -2.363 . . . . 10.0 104.619 173.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.834 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 4.1 p -67.4 173.06 4.28 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 120.59 1.541 . . . . 10.0 109.268 172.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.528 ' C ' HD13 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -110.3 161.0 16.05 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 114.985 -1.007 . . . . 10.0 109.266 -179.756 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.528 HD13 ' C ' ' A' ' 52' ' ' SER . 3.3 mp -129.34 157.15 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 124.646 1.178 . . . . 10.0 108.432 -175.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.546 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 21.2 p -106.46 151.29 25.14 Favored 'General case' 0 CA--C 1.554 1.101 0 CA-C-N 120.046 1.294 . . . . 10.0 112.938 179.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.741 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 49.9 p -39.17 -49.7 1.86 Allowed 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 118.734 2.864 . . . . 10.0 118.734 -174.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.09 -16.37 0.29 Allowed 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 114.899 1.444 . . . . 10.0 114.899 -175.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.539 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 84.2 m-70 -85.82 -17.02 36.85 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 114.061 1.134 . . . . 10.0 114.061 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.572 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -133.82 132.86 40.92 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 118.727 0.694 . . . . 10.0 111.689 -179.397 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p -40.38 137.59 1.28 Allowed Pre-proline 0 N--CA 1.434 -1.272 0 O-C-N 124.865 1.353 . . . . 10.0 110.621 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.61 ' O ' ' HB2' ' A' ' 63' ' ' PHE . 8.9 Cg_endo -49.51 -27.94 15.29 Favored 'Trans proline' 0 C--N 1.323 -0.795 0 C-N-CA 123.067 2.512 . . . . 10.0 111.831 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.459 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -61.64 -51.22 69.36 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 113.49 -1.686 . . . . 10.0 107.588 174.8 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.522 ' OG ' ' HG2' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -88.03 6.54 35.59 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 113.612 0.967 . . . . 10.0 113.612 -174.296 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.61 ' HB2' ' O ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -37.69 -61.39 0.63 Allowed 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 113.958 -1.474 . . . . 10.0 114.34 179.637 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.541 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -175.97 -131.72 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 117.823 0.283 . . . . 10.0 111.581 -178.442 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.585 ' HA ' ' C ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -61.7 -20.9 63.98 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.15 0.5 . . . . 10.0 110.886 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -81.96 5.91 17.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.631 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.775 ' OG ' ' HD2' ' A' ' 73' ' ' LYS . 1.4 t -72.35 -95.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.016 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.424 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.4 OUTLIER -100.98 -71.14 0.72 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.213 0.53 . . . . 10.0 110.023 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -111.14 -64.64 1.25 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.559 -0.746 . . . . 10.0 111.771 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.585 ' C ' ' HA ' ' A' ' 65' ' ' ARG . 13.0 ttmm -146.21 1.99 0.86 Allowed 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 111.801 0.297 . . . . 10.0 111.801 -178.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.664 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -146.4 -170.84 3.6 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.766 -0.635 . . . . 10.0 110.053 179.527 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.542 ' CD1' ' HB3' ' A' ' 26' ' ' PRO . 2.1 mp -61.74 -177.35 0.11 Allowed 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 122.56 1.171 . . . . 10.0 110.815 -174.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.775 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -88.84 108.68 19.65 Favored 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 104.558 -2.386 . . . . 10.0 104.558 172.177 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -51.49 -5.16 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 115.329 1.604 . . . . 10.0 115.329 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -110.43 18.05 20.19 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.213 -0.903 . . . . 10.0 110.671 176.007 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.476 ' HB2' ' OG ' ' A' ' 62' ' ' SER . . . -143.51 145.34 32.49 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 123.894 1.806 . . . . 10.0 110.718 -177.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.462 HG21 ' CD1' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -150.84 148.99 24.37 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 110.306 -3.134 . . . . 10.0 107.757 -178.026 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.539 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 2.2 Cg_endo -43.93 120.39 2.38 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 123.51 2.807 . . . . 10.0 108.444 178.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 t -123.0 -10.65 8.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 113.418 -1.719 . . . . 10.0 109.363 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.44 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.8 OUTLIER -91.49 7.07 4.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 115.068 -0.969 . . . . 10.0 112.508 -176.096 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.478 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 3.9 m-30 -40.49 -53.72 2.61 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.311 0.856 . . . . 10.0 113.311 -177.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.562 ' HB2' ' CE1' ' A' ' 8' ' ' TYR . 7.5 mt -174.78 164.16 3.5 Favored 'General case' 0 CA--C 1.517 -0.3 0 O-C-N 123.297 0.373 . . . . 10.0 110.128 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -58.21 -52.41 65.68 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.575 0.547 . . . . 10.0 109.842 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.41 ' HA ' HD22 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -157.47 -67.53 0.1 Allowed 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.524 178.62 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -143.39 148.6 44.67 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 110.171 -0.307 . . . . 10.0 110.171 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -61.33 141.22 92.01 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.458 2.105 . . . . 10.0 113.697 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 . . . . . 0 C--O 1.249 1.037 0 CA-C-N 114.477 -1.238 . . . . 10.0 112.043 178.907 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.801 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C4'-C3' 104.597 -1.003 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.801 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-N19 108.879 1.348 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.821 H2'' ' H72' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-N19 108.892 1.365 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.821 ' H72' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-N19 108.773 1.216 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.625 H2'' ' C7 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-N19 108.683 1.104 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.625 ' C7 ' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-N19 108.602 1.002 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.674 " H2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-N19 109.288 1.859 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.822 ' H73' ' HZ2' ' A' ' 24' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 N19-C1'-C2' 116.528 1.455 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.517 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.242 0 O4'-C1'-N19 108.976 1.47 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.517 ' OP2' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.361 0 P-O5'-C5' 117.702 -1.999 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.727 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O3'-P-O5' 100.942 -1.609 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.727 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.026 0 C2'-C3'-O3' 113.39 1.033 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.512 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 O4'-C1'-C2' 106.959 0.781 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.86 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C1'-C2' 107.069 0.881 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.086 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.442 0.876 0 O4'-C1'-N19 109.61 2.263 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.086 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.451 2.362 2 N19-C1'-C2' 103.614 -6.616 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.63 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.43 0.735 0 O4'-C1'-N19 109.062 1.578 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.859 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.556 0 O4'-C1'-C2' 107.121 0.929 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.859 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-C2' 107.073 0.884 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.804 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O4'-C1'-C2' 107.454 1.231 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.52 H2'' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.126 0 O4'-C1'-C2' 107.213 1.012 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.694 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.417 -1.447 0 O4'-C1'-N19 109.367 1.959 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.645 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.43 -0.624 0 O3'-P-O5' 100.565 -1.808 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.049 0 O4'-C1'-N19 108.928 1.409 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . 0.51 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.42 -1.252 0 O4'-C1'-N19 108.845 1.306 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.51 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-N19 109.027 1.534 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.593 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-C2' 107.185 0.986 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.593 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 O4'-C1'-N19 108.722 1.152 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.498 H2'' ' C8 ' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 O4'-C1'-N19 108.654 1.067 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.498 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-N19 108.686 1.108 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.498 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 N19-C1'-C2' 116.073 1.171 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.498 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 O4'-C1'-C2' 107.107 0.916 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HA ' ' OG ' ' A' ' 52' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.775 HG11 " H2'" ' B' ' 10' ' ' ' DG' . 17.8 m -69.9 -32.9 53.4 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 O-C-N 123.383 0.427 . . . . 10.0 110.469 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.492 ' N ' HG23 ' A' ' 2' ' ' VAL . 40.2 mt-30 -56.71 -62.45 1.73 Allowed 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 123.496 0.498 . . . . 10.0 110.443 -178.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.575 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER 178.87 170.27 0.87 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 120.875 0.369 . . . . 10.0 111.3 178.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.537 ' N ' ' HG ' ' A' ' 4' ' ' SER . 1.8 m -84.34 167.73 16.27 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 107.613 -1.254 . . . . 10.0 107.613 -177.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.657 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 8.2 t -74.46 2.32 9.81 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 112.859 -1.973 . . . . 10.0 111.832 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.79 -152.29 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 122.181 0.991 . . . . 10.0 112.956 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.449 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 1.4 t80 -109.02 67.27 0.65 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 -178.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.41 35.17 12.38 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 120.738 -0.744 . . . . 10.0 113.528 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 12' ' ' ASN . 8.3 t -85.99 76.45 9.82 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 117.614 0.707 . . . . 10.0 112.563 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.575 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 29.4 mmtp -73.29 62.83 0.71 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.855 -0.794 . . . . 10.0 108.855 176.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.433 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER -89.65 30.3 1.05 Allowed 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.72 -0.613 . . . . 10.0 111.64 -179.125 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -23.97 135.72 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 O-C-N 124.902 1.376 . . . . 10.0 112.145 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.52 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -44.68 111.72 0.34 Allowed 'General case' 0 C--N 1.35 0.628 0 CA-C-O 122.152 0.977 . . . . 10.0 111.126 -177.877 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.582 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 0.9 OUTLIER -140.58 111.28 6.89 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 105.474 -2.047 . . . . 10.0 105.474 178.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -61.03 -21.2 63.38 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.973 -1.012 . . . . 10.0 112.013 -178.36 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.582 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 1.5 m-20 -68.35 -22.09 64.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.626 -1.17 . . . . 10.0 109.692 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HZ2' ' HB3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -105.55 138.76 19.68 Favored Pre-proline 0 C--N 1.315 -0.925 0 N-CA-C 107.923 -1.14 . . . . 10.0 107.923 177.829 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -84.92 76.36 3.3 Favored 'Trans proline' 0 C--O 1.238 0.484 0 C-N-CA 121.58 1.52 . . . . 10.0 116.015 -176.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.46 ' HA ' ' HG ' ' A' ' 55' ' ' SER . 3.4 m -144.41 143.1 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.581 0.705 . . . . 10.0 111.797 178.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.59 168.68 9.12 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 114.663 -1.153 . . . . 10.0 107.918 177.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.52 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -118.66 102.56 8.95 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 117.331 2.345 . . . . 10.0 117.331 -177.266 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.72 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -106.13 159.63 15.94 Favored 'General case' 0 C--O 1.195 -1.792 0 N-CA-C 114.827 1.417 . . . . 10.0 114.827 -170.876 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.574 ' HD3' ' H73' ' B' ' 8' ' ' ' DT' . 34.4 mtpt -95.03 164.46 12.88 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 114.985 -1.007 . . . . 10.0 111.418 178.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.71 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -57.8 156.47 18.32 Favored Pre-proline 0 C--N 1.318 -0.791 0 CA-C-N 118.067 0.394 . . . . 10.0 110.915 -179.748 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.452 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 51.9 Cg_endo -78.48 67.58 8.27 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.818 2.345 . . . . 10.0 108.519 178.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 27' ' ' LEU . 18.2 mt -49.42 -38.78 30.34 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 112.486 -2.143 . . . . 10.0 115.756 -177.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 p -88.09 0.64 55.74 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 109.884 -3.325 . . . . 10.0 112.587 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.411 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -127.5 56.51 19.85 Favored Pre-proline 0 N--CA 1.439 -0.997 0 N-CA-C 105.858 -1.904 . . . . 10.0 105.858 175.067 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.574 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 9.2 Cg_endo -48.36 -53.58 6.57 Favored 'Trans proline' 0 C--O 1.219 -0.454 0 C-N-CA 123.938 3.092 . . . . 10.0 115.362 -174.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.485 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -52.85 -45.81 67.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.499 0.666 . . . . 10.0 109.291 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.417 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 2.2 tm? -70.54 -31.92 69.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.406 -1.27 . . . . 10.0 108.97 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.71 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 44.0 t -63.95 -36.83 85.24 Favored 'General case' 0 CA--C 1.502 -0.893 0 N-CA-C 107.293 -1.373 . . . . 10.0 107.293 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -66.56 -27.41 67.71 Favored 'General case' 0 N--CA 1.421 -1.888 0 CA-C-N 115.018 -0.992 . . . . 10.0 113.515 -176.44 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.564 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.7 OUTLIER -74.81 -22.27 58.82 Favored 'General case' 0 CA--C 1.497 -1.074 0 C-N-CA 116.044 -2.263 . . . . 10.0 108.785 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.602 ' O ' HG22 ' A' ' 40' ' ' VAL . 11.8 m0 -58.82 -29.87 67.21 Favored 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 106.118 -1.808 . . . . 10.0 106.118 178.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -55.39 -48.43 74.33 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 123.544 1.64 . . . . 10.0 109.338 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -55.09 -34.44 63.64 Favored 'General case' 0 C--N 1.361 1.108 0 CA-C-N 110.593 -3.003 . . . . 10.0 112.001 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.44 ' O ' ' HD2' ' A' ' 81' ' ' PHE . . . -87.23 -15.21 38.87 Favored 'General case' 0 C--N 1.309 -1.179 0 C-N-CA 120.582 -0.447 . . . . 10.0 110.266 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 36' ' ' TRP . 18.5 t -91.51 44.06 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 107.741 -1.207 . . . . 10.0 107.741 174.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.31 12.12 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.292 1.219 . . . . 10.0 114.292 -178.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.456 ' HG3' ' OD1' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -76.58 137.43 39.53 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 179.323 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.446 ' H ' ' CZ ' ' A' ' 42' ' ' ARG . 36.4 tttt -54.69 -52.6 61.89 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 108.863 -0.792 . . . . 10.0 108.863 178.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.456 ' OD1' ' HG3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -82.49 66.78 8.25 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.288 -0.869 . . . . 10.0 108.839 178.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.637 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 5.6 t80 -47.17 126.12 8.78 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.247 -0.888 . . . . 10.0 109.425 178.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.657 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.3 OUTLIER -61.92 -172.23 0.05 OUTLIER Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 114.836 -1.074 . . . . 10.0 110.834 178.828 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.758 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 80.8 Cg_exo -46.39 176.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 122.117 1.878 . . . . 10.0 111.83 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.584 HG22 " H2'" ' C' ' 21' ' ' ' DG' . 43.4 p -81.74 -153.02 0.1 Allowed 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 103.382 -2.822 . . . . 10.0 103.382 173.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.498 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -90.46 -3.26 57.78 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 112.061 -2.336 . . . . 10.0 114.219 -174.077 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.689 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 75.5 m-85 -77.88 -31.77 51.5 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 105.391 -2.077 . . . . 10.0 105.391 173.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.758 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 9.4 p -62.43 172.32 1.59 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 120.606 1.548 . . . . 10.0 109.55 175.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.645 ' C ' HD11 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -110.31 160.81 16.22 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.076 -1.42 . . . . 10.0 109.764 -178.577 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.645 HD11 ' C ' ' A' ' 52' ' ' SER . 2.9 mp -130.36 157.11 42.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 114.159 -1.382 . . . . 10.0 107.578 -175.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.556 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 15.9 p -107.65 155.17 20.45 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 120.185 1.357 . . . . 10.0 111.969 178.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.72 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 2.2 p -48.46 -39.16 21.91 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 119.024 2.972 . . . . 10.0 119.024 -172.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -16.05 2.37 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 114.427 1.269 . . . . 10.0 114.427 -176.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.512 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 88.3 m-70 -85.67 -16.85 37.77 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 114.535 1.309 . . . . 10.0 114.535 -177.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.567 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -138.73 137.16 36.49 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-N 118.361 0.528 . . . . 10.0 111.353 -178.501 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.8 p -42.58 139.12 2.04 Favored Pre-proline 0 N--CA 1.434 -1.272 0 O-C-N 124.689 1.243 . . . . 10.0 111.72 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.657 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.5 Cg_endo -50.31 -28.61 21.06 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 122.733 2.288 . . . . 10.0 112.136 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.477 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 0.8 OUTLIER -60.48 -50.76 72.27 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 113.51 -1.677 . . . . 10.0 107.436 174.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.606 ' OG ' ' HB1' ' A' ' 76' ' ' ALA . 0.2 OUTLIER -90.76 7.21 40.8 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 113.865 1.061 . . . . 10.0 113.865 -174.531 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.657 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -40.72 -59.49 1.38 Allowed 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 113.97 1.1 . . . . 10.0 113.97 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.591 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 22.9 pttt -175.83 -136.54 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.448 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 3.2 ptm180 -59.59 -13.72 10.53 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.333 0.653 . . . . 10.0 112.55 -178.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -85.37 5.74 29.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.785 0.326 . . . . 10.0 110.619 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.825 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 9.0 t -68.01 -114.05 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.938 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.4 ' N ' ' OG ' ' A' ' 67' ' ' SER . 1.1 m120 -102.81 -75.08 0.62 Allowed 'General case' 0 C--N 1.321 -0.653 0 O-C-N 122.027 -0.421 . . . . 10.0 112.102 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -82.83 -74.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.794 -0.362 . . . . 10.0 111.774 -177.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -149.9 -2.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.917 0.389 . . . . 10.0 111.932 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.825 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -139.44 -163.82 1.56 Allowed 'General case' 0 C--O 1.213 -0.856 0 CA-C-O 118.277 -0.868 . . . . 10.0 109.297 -179.111 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.591 HD21 ' O ' ' A' ' 62' ' ' SER . 3.4 mp -62.73 -173.47 0.05 Allowed 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 122.396 1.093 . . . . 10.0 109.936 -175.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.583 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -87.79 101.98 14.22 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 104.482 -2.414 . . . . 10.0 104.482 170.721 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.417 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -49.72 -4.27 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 116.261 1.949 . . . . 10.0 116.261 -177.119 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.421 ' H ' ' C ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -106.82 14.46 26.66 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.212 175.819 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.606 ' HB1' ' OG ' ' A' ' 62' ' ' SER . . . -140.73 146.46 37.77 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 123.595 1.664 . . . . 10.0 110.954 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.425 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -147.16 149.84 36.39 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 111.076 -2.783 . . . . 10.0 109.312 -177.605 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.533 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 2.1 Cg_endo -45.9 122.78 5.46 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 123.148 2.565 . . . . 10.0 107.437 176.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.01 -10.55 7.14 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 113.961 -1.472 . . . . 10.0 109.757 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -93.29 6.56 6.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 115.593 -0.731 . . . . 10.0 111.178 -175.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.446 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.7 m-30 -39.06 -45.12 1.21 Allowed 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.938 1.088 . . . . 10.0 113.938 -177.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.449 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -174.25 173.12 3.12 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.964 -0.384 . . . . 10.0 109.964 -179.554 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -82.52 -68.57 0.69 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.028 0.442 . . . . 10.0 110.445 179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.95 -67.38 0.29 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.844 -0.616 . . . . 10.0 109.741 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.7 p -161.89 129.64 2.75 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.076 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -71.69 161.52 44.94 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.502 2.135 . . . . 10.0 111.543 179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.462 ' O ' ' HD3' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.805 0 CA-C-O 118.685 -0.674 . . . . 10.0 109.816 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.799 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.648 0 O4'-C1'-C2' 107.018 0.835 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.799 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-N19 109.264 1.83 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.742 H2'' ' H72' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.983 0 O4'-C1'-N19 109.069 1.587 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.742 ' H72' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-N19 108.876 1.345 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.603 H2'' ' C7 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 O4'-C1'-C2' 107.084 0.895 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.67 " H1'" ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 O4'-C1'-N19 108.827 1.284 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.67 ' C8 ' " H1'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 O4'-C1'-N19 109.397 1.996 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.593 ' H71' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 C5'-C4'-C3' 112.536 -1.443 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.532 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.417 -1.452 0 O4'-C1'-N19 109.452 2.065 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.775 " H2'" HG11 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.42 -1.242 0 O3'-P-O5' 100.428 -1.88 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.479 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O3'-P-O5' 100.984 -1.587 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.61 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.422 -1.096 0 C2'-C3'-O3' 114.219 1.341 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.61 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 P-O5'-C5' 119.429 -0.919 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.897 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C1'-C2' 107.12 0.927 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.09 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.02 0 O4'-C1'-N19 109.812 2.514 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.09 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.451 2.376 2 N19-C1'-C2' 103.38 -6.763 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.716 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C1'-N19 108.998 1.498 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.794 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 O4'-C4'-C3' 104.574 -1.026 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.794 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O3'-P-O5' 102.396 -0.844 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.782 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.043 0 N19-C1'-C2' 116.184 1.24 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.584 " H2'" HG22 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O4'-C1'-C2' 107.141 0.947 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.655 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.42 -1.26 0 O4'-C1'-N19 109.644 2.305 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.689 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O3'-P-O5' 100.707 -1.733 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-N19 109.231 1.789 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . 0.502 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.024 0 O4'-C1'-N19 109.113 1.641 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.502 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O3'-P-O5' 101.396 -1.371 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.693 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O4'-C1'-C2' 107.08 0.891 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.693 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 O4'-C1'-N19 108.751 1.188 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.516 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C1'-N19 108.704 1.13 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.451 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 O4'-C1'-N19 108.56 0.95 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.449 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 O4'-C1'-C2' 107.256 1.051 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.449 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O4'-C1'-C2' 107.162 0.965 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.482 ' SD ' ' H73' ' C' ' 20' ' ' ' DT' . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 109.722 -0.474 . . . . 10.0 109.722 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.649 HG13 " H2'" ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -68.61 -41.6 82.94 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 O-C-N 123.28 0.363 . . . . 10.0 111.117 -179.366 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -54.41 -46.49 73.17 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.972 -0.751 . . . . 10.0 108.972 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.626 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 1.1 t -177.63 161.44 1.68 Allowed 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.796 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.634 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 1.6 m -80.5 163.17 23.95 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 107.155 -1.424 . . . . 10.0 107.155 -176.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.593 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -72.67 1.22 8.75 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 112.201 -2.272 . . . . 10.0 112.271 -179.839 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.13 -149.09 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.764 0.793 . . . . 10.0 111.656 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.566 ' CE2' ' HD3' ' A' ' 42' ' ' ARG . 1.4 t80 -110.88 69.43 0.69 Allowed 'General case' 0 N--CA 1.442 -0.826 0 O-C-N 121.083 -1.01 . . . . 10.0 108.855 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.78 29.96 14.47 Favored Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 114.994 -1.003 . . . . 10.0 114.541 178.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.8 t -83.96 75.54 10.12 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 117.715 0.758 . . . . 10.0 112.119 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.626 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 58.6 mttt -72.06 65.16 0.56 Allowed 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.658 -0.867 . . . . 10.0 108.658 176.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -91.11 27.25 1.92 Allowed 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.65 -0.656 . . . . 10.0 111.634 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.412 ' HD3' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -23.68 136.37 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 124.808 1.317 . . . . 10.0 111.71 -179.352 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.435 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -46.31 109.77 0.22 Allowed 'General case' 0 C--N 1.349 0.569 0 CA-C-O 121.873 0.844 . . . . 10.0 111.287 -176.83 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.619 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 67.1 t0 -133.78 118.31 17.89 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 104.565 -2.383 . . . . 10.0 104.565 176.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -62.94 -17.3 61.7 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 114.386 -1.279 . . . . 10.0 110.572 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.438 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -71.46 -27.66 63.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.876 -1.056 . . . . 10.0 109.777 178.577 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.619 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -100.85 142.44 24.62 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 114.936 -1.029 . . . . 10.0 108.338 179.507 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -90.74 77.03 0.72 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 121.76 1.64 . . . . 10.0 115.496 -176.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.404 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 1.6 m -145.31 148.2 17.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-O 121.37 0.605 . . . . 10.0 111.537 179.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 p -103.45 167.86 9.53 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 114.506 -1.224 . . . . 10.0 108.526 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.435 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 1.7 m-85 -121.27 102.05 8.04 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 116.518 2.044 . . . . 10.0 116.518 -177.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.717 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.52 160.17 15.87 Favored 'General case' 0 C--O 1.202 -1.428 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 -171.168 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.494 ' HD3' ' H73' ' B' ' 8' ' ' ' DT' . 5.4 mtpt -94.98 162.0 13.91 Favored 'General case' 0 C--N 1.307 -1.276 0 C-N-CA 119.182 -1.007 . . . . 10.0 111.563 178.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.798 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.2 m-85 -56.01 157.16 8.83 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 118.79 0.723 . . . . 10.0 110.762 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.476 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 65.1 Cg_endo -76.98 66.86 7.65 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.733 2.288 . . . . 10.0 108.871 177.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 mt -50.5 -35.26 28.45 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-O 124.408 2.051 . . . . 10.0 115.215 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.7 p -88.27 -0.81 57.55 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 109.291 -3.595 . . . . 10.0 113.119 -175.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.505 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.82 57.94 35.27 Favored Pre-proline 0 N--CA 1.445 -0.68 0 N-CA-C 105.92 -1.881 . . . . 10.0 105.92 174.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.485 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 3.0 Cg_endo -44.34 -55.8 2.97 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 124.173 3.249 . . . . 10.0 115.733 -175.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 m -50.98 -46.12 61.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.996 0.427 . . . . 10.0 109.949 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.415 ' CB ' ' HD3' ' A' ' 29' ' ' ARG . 1.6 tm? -70.37 -34.87 73.09 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.242 -1.022 . . . . 10.0 108.242 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.798 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 40.1 t -61.9 -37.83 86.06 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 107.099 -1.445 . . . . 10.0 107.099 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.03 -25.85 65.59 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 113.591 0.96 . . . . 10.0 113.591 -175.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.7 OUTLIER -73.97 -24.12 59.57 Favored 'General case' 0 CA--C 1.493 -1.232 0 C-N-CA 116.418 -2.113 . . . . 10.0 109.272 179.253 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.602 ' O ' HG22 ' A' ' 40' ' ' VAL . 12.2 m0 -57.21 -30.57 64.67 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 106.05 -1.833 . . . . 10.0 106.05 178.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -55.36 -47.56 75.58 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 123.774 1.749 . . . . 10.0 109.972 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -56.15 -34.48 66.19 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 110.419 -3.082 . . . . 10.0 112.451 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.06 -14.5 41.29 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 120.956 0.408 . . . . 10.0 110.635 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 36' ' ' TRP . 22.2 t -91.66 43.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 106.855 -1.535 . . . . 10.0 106.855 173.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.46 14.21 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 113.485 -1.689 . . . . 10.0 115.477 -177.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.566 ' HD3' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -98.78 142.76 29.91 Favored 'General case' 0 C--N 1.313 -1.013 0 O-C-N 121.3 -0.875 . . . . 10.0 111.593 -179.356 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 2.8 tttt -54.31 -44.05 71.66 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.381 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.462 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -82.85 65.34 7.93 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.234 -0.894 . . . . 10.0 109.913 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.528 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 9.2 t80 -60.85 119.42 8.19 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 114.986 -1.007 . . . . 10.0 109.132 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.634 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -59.94 -172.07 0.04 OUTLIER Pre-proline 0 C--O 1.22 -0.473 0 CA-C-N 114.958 -1.019 . . . . 10.0 110.959 178.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.731 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 99.8 Cg_exo -44.5 175.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.363 1.292 0 C-N-CA 122.138 1.892 . . . . 10.0 111.964 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.517 HG22 " H2'" ' C' ' 21' ' ' ' DG' . 11.8 p -97.36 161.61 13.71 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 103.29 -2.856 . . . . 10.0 103.29 172.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.581 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -27.77 -17.63 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 O-C-N 127.735 3.147 . . . . 10.0 117.868 175.087 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.715 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 62.0 m-85 -73.78 -29.52 62.24 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 104.535 -2.394 . . . . 10.0 104.535 173.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.731 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 6.9 p -65.43 173.13 2.79 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 121.056 1.753 . . . . 10.0 108.797 173.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.561 ' C ' HD11 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -109.65 163.61 13.32 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 114.818 -1.083 . . . . 10.0 110.148 -178.529 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.561 HD11 ' C ' ' A' ' 52' ' ' SER . 3.2 mp -131.79 158.48 43.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 N-CA-C 107.749 -1.204 . . . . 10.0 107.749 -177.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.583 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.3 p -106.36 156.33 18.62 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.778 1.172 . . . . 10.0 111.833 178.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.717 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.4 p -49.98 -40.45 44.24 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 118.294 2.701 . . . . 10.0 118.294 -173.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -15.81 2.54 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 114.344 1.238 . . . . 10.0 114.344 -176.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.49 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 95.4 m-70 -85.21 -16.67 39.51 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 114.529 1.307 . . . . 10.0 114.529 -177.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.482 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -138.56 138.82 38.32 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 118.249 0.477 . . . . 10.0 110.956 -178.468 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -43.5 138.14 2.92 Favored Pre-proline 0 N--CA 1.429 -1.486 0 CA-C-N 114.597 -1.183 . . . . 10.0 111.041 179.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.542 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.9 Cg_endo -50.39 -28.39 20.91 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.936 2.424 . . . . 10.0 112.399 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.572 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 1.7 m-20 -60.06 -50.82 72.21 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 106.78 -1.563 . . . . 10.0 106.78 174.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.562 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -88.86 5.87 41.79 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 113.925 1.083 . . . . 10.0 113.925 -174.358 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -39.52 -56.9 1.55 Allowed 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 113.771 1.026 . . . . 10.0 113.771 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 0.2 OUTLIER -176.36 -141.35 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -177.671 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.433 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -57.97 -13.71 5.07 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.391 0.677 . . . . 10.0 112.584 -179.358 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -82.73 5.8 20.18 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.088 -0.338 . . . . 10.0 110.088 178.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.84 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 3.9 t -70.49 -109.52 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.627 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.405 ' N ' ' OG ' ' A' ' 67' ' ' SER . 1.6 m120 -100.98 -69.13 0.79 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.384 0.513 . . . . 10.0 112.384 -178.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -99.42 -71.02 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.294 0.479 . . . . 10.0 112.294 -178.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -145.91 -2.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.407 0.521 . . . . 10.0 112.407 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.84 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -138.24 -163.95 1.54 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 118.748 -0.644 . . . . 10.0 109.755 -179.609 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.562 HD21 ' O ' ' A' ' 62' ' ' SER . 4.0 mp -64.39 -170.71 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 122.589 1.185 . . . . 10.0 109.534 -177.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.637 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 2.0 mmmm -87.51 102.66 14.79 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 102.595 -3.113 . . . . 10.0 102.595 170.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.505 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 4.6 pt-20 -49.92 -5.04 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 115.916 1.821 . . . . 10.0 115.916 -178.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.421 ' H ' ' C ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -110.01 16.68 21.73 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.868 176.189 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.455 ' HB1' ' OG ' ' A' ' 62' ' ' SER . . . -140.38 146.88 38.96 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 123.644 1.688 . . . . 10.0 109.717 -179.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.4 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -148.58 151.01 35.09 Favored Pre-proline 0 N--CA 1.449 -0.482 0 CA-C-N 110.484 -3.053 . . . . 10.0 108.244 -177.583 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.512 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 2.1 Cg_endo -45.46 120.4 3.21 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 123.498 2.798 . . . . 10.0 107.537 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.03 -9.88 8.2 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 113.457 -1.701 . . . . 10.0 108.695 177.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.469 HG22 HD12 ' A' ' 80' ' ' ILE . 0.7 OUTLIER -94.6 6.74 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-N 115.402 -0.817 . . . . 10.0 111.1 -176.429 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.481 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.0 OUTLIER -40.7 -47.29 2.78 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.84 1.052 . . . . 10.0 113.84 -177.768 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -166.76 166.73 15.62 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.286 -0.265 . . . . 10.0 110.286 -179.247 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -80.29 -53.31 6.75 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.592 -0.892 . . . . 10.0 108.592 178.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -162.02 -70.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.329 179.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.459 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.5 p -152.37 128.59 5.24 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.931 0.396 . . . . 10.0 111.294 -179.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 8.3 Cg_exo -69.47 155.21 67.53 Favored 'Trans proline' 0 C--O 1.237 0.442 0 C-N-CA 123.048 2.498 . . . . 10.0 112.31 179.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.802 0 CA-C-O 117.923 -1.036 . . . . 10.0 109.48 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.793 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.618 0 O5'-C5'-C4' 111.379 0.842 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.793 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.971 0 O4'-C1'-C2' 107.144 0.949 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.656 H2'' ' C7 ' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 O4'-C1'-N19 108.742 1.178 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.656 ' C7 ' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 O4'-C1'-C2' 107.254 1.049 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.597 H2'' ' C7 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 O4'-C1'-N19 108.675 1.093 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.606 " H1'" ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.033 0 O4'-C4'-C3' 104.568 -1.032 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.682 " H2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.512 -0.588 0 O4'-C1'-N19 109.179 1.724 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.682 ' H71' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 O4'-C1'-N19 108.867 1.334 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.437 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.258 0 O4'-C1'-N19 109.242 1.803 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.649 " H2'" HG13 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.42 -1.259 0 O4'-C1'-N19 109.59 2.237 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.404 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.087 0 O3'-P-O5' 99.932 -2.141 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.676 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 C2'-C3'-O3' 113.68 1.141 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.676 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 C2'-C3'-O3' 113.05 0.907 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.826 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.542 0 O4'-C1'-C2' 107.121 0.928 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.116 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 1.036 0 O4'-C1'-N19 109.969 2.711 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.116 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.451 2.367 2 N19-C1'-C2' 103.369 -6.77 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.502 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 O4'-C1'-N19 108.903 1.379 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.693 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-N19 108.612 1.015 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.814 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.704 0 O4'-C1'-C2' 106.954 0.777 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.814 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.368 1.153 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.591 ' C8 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 O4'-C1'-C2' 107.155 0.959 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.715 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.419 -1.314 0 O4'-C1'-N19 109.256 1.82 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.703 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 P-O5'-C5' 118.168 -1.708 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 O4'-C1'-N19 108.699 1.123 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 O4'-C4'-C3' 104.554 -1.046 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 O3'-P-O5' 101.754 -1.182 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.623 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 O4'-C4'-C3' 104.612 -0.988 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.623 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-C2' 107.072 0.884 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.579 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 O4'-C1'-N19 108.617 1.021 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.492 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C4'-C3' 104.53 -1.07 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.497 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-C2' 107.142 0.947 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.497 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 O4'-C1'-C2' 106.948 0.771 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.641 ' HA ' ' OG ' ' A' ' 52' ' ' SER . 0.7 OUTLIER . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 108.545 -0.909 . . . . 10.0 108.545 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.561 HG11 " H2'" ' B' ' 10' ' ' ' DG' . 0.1 OUTLIER -69.23 -46.7 77.04 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.548 0 C-N-CA 120.496 -0.482 . . . . 10.0 110.226 -179.648 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.569 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 12.5 mt-30 -62.05 -56.23 21.12 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.753 178.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.554 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 2.6 t -178.24 171.12 1.7 Allowed 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.071 0.462 . . . . 10.0 111.547 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.27 156.77 26.67 Favored 'General case' 0 C--N 1.339 0.138 0 N-CA-C 107.093 -1.447 . . . . 10.0 107.093 -176.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.634 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -67.96 3.82 1.41 Allowed 'General case' 0 C--N 1.349 0.553 0 CA-C-N 114.076 -1.42 . . . . 10.0 112.621 179.213 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.06 -149.19 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.064 0.765 . . . . 10.0 113.064 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.404 ' HH ' HG22 ' A' ' 85' ' ' VAL . 1.1 t80 -115.12 70.69 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.519 0.676 . . . . 10.0 109.935 -178.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.49 28.52 26.98 Favored Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 120.583 -0.818 . . . . 10.0 113.935 178.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.1 t -89.98 74.31 7.29 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.554 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 43.9 mttp -71.23 65.89 0.41 Allowed 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.497 -0.927 . . . . 10.0 108.497 176.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.61 31.09 0.6 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.848 -0.532 . . . . 10.0 110.951 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.484 ' HD3' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -23.6 134.32 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 O-C-N 125.077 1.486 . . . . 10.0 111.902 -179.484 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.96 114.46 0.79 Allowed 'General case' 0 CA--C 1.508 -0.643 0 CA-C-O 122.271 1.034 . . . . 10.0 109.672 -177.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -141.73 112.54 7.26 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 104.719 -2.326 . . . . 10.0 104.719 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -20.35 64.3 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.453 -0.794 . . . . 10.0 109.885 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.45 -26.83 66.59 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.506 -1.225 . . . . 10.0 109.722 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.68 141.07 22.13 Favored Pre-proline 0 C--O 1.235 0.334 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 178.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -85.87 74.57 3.37 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 N-CA-C 116.276 1.606 . . . . 10.0 116.276 -176.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.84 144.86 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-O 121.154 0.502 . . . . 10.0 110.959 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.55 169.05 8.76 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 114.722 -1.126 . . . . 10.0 108.805 178.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -117.75 103.74 10.29 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 118.155 2.65 . . . . 10.0 118.155 -177.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.767 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -100.4 -174.93 2.78 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 114.631 1.345 . . . . 10.0 114.631 -171.242 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.517 ' CE ' ' H71' ' B' ' 8' ' ' ' DT' . 2.1 ttpt -125.8 164.83 19.83 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 103.976 -2.601 . . . . 10.0 103.976 -177.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.725 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.5 m-85 -61.16 157.86 40.08 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 119.445 1.021 . . . . 10.0 110.882 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.574 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 89.2 Cg_endo -75.58 86.65 1.45 Allowed 'Trans proline' 0 CA--C 1.514 -0.494 0 C-N-CA 122.322 2.014 . . . . 10.0 107.343 176.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.1 mt -69.93 -35.29 74.42 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 112.664 -2.062 . . . . 10.0 114.232 -174.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.4 p -94.07 9.83 36.11 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 113.179 -1.828 . . . . 10.0 110.429 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.415 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -132.78 55.8 19.19 Favored Pre-proline 0 N--CA 1.445 -0.676 0 N-CA-C 106.481 -1.674 . . . . 10.0 106.481 175.031 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.539 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.5 Cg_endo -48.72 -52.04 9.3 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.564 2.843 . . . . 10.0 114.4 -176.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.411 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -53.29 -43.93 67.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.561 0.696 . . . . 10.0 109.632 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -71.1 -33.78 70.49 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.89 -1.152 . . . . 10.0 107.89 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.725 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 42.2 t -63.48 -37.46 87.38 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 106.609 -1.626 . . . . 10.0 106.609 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -66.11 -26.3 67.39 Favored 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 113.191 0.811 . . . . 10.0 113.191 -176.538 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.561 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -75.31 -24.47 57.44 Favored 'General case' 0 CA--C 1.495 -1.166 0 C-N-CA 116.533 -2.067 . . . . 10.0 109.008 179.29 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.659 ' O ' HG22 ' A' ' 40' ' ' VAL . 11.7 m0 -58.17 -29.18 65.4 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 105.566 -2.013 . . . . 10.0 105.566 178.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -56.45 -48.23 77.47 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-O 123.472 1.606 . . . . 10.0 109.677 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -56.38 -32.42 64.77 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 110.944 -2.844 . . . . 10.0 112.871 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.88 -15.22 39.71 Favored 'General case' 0 C--N 1.308 -1.226 0 C-N-CA 120.368 -0.533 . . . . 10.0 110.598 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.659 HG22 ' O ' ' A' ' 36' ' ' TRP . 6.3 t -93.44 39.03 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 108.205 -1.035 . . . . 10.0 108.205 174.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.99 14.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 116.062 1.875 . . . . 10.0 116.062 -177.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -97.62 155.35 17.02 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 121.305 -0.872 . . . . 10.0 111.426 -179.509 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -63.31 -41.9 98.96 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.492 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.81 62.46 6.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.428 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.628 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 2.3 t80 -61.96 124.79 21.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.365 -0.834 . . . . 10.0 109.541 179.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.634 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -64.11 -171.83 0.06 OUTLIER Pre-proline 0 CA--C 1.547 0.833 0 CA-C-N 114.633 -1.167 . . . . 10.0 111.02 179.123 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.754 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 79.7 Cg_exo -45.95 178.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 122.939 2.426 . . . . 10.0 112.68 178.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.59 HG22 " H2'" ' C' ' 21' ' ' ' DG' . 37.1 p -80.15 -153.16 0.08 Allowed 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 103.951 -2.611 . . . . 10.0 103.951 173.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.568 ' HD3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -90.7 -4.72 56.52 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 112.277 -2.238 . . . . 10.0 113.771 -174.821 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.734 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 61.2 m-85 -78.36 -27.71 46.99 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 105.731 -1.951 . . . . 10.0 105.731 175.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.754 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 4.0 p -64.46 174.14 1.82 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 121.12 1.782 . . . . 10.0 107.725 173.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.641 ' OG ' ' HA ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -109.29 165.11 11.87 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 114.803 -1.09 . . . . 10.0 110.31 -178.426 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.575 HD11 ' C ' ' A' ' 52' ' ' SER . 3.4 mp -134.14 159.28 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 N-CA-C 108.774 -0.824 . . . . 10.0 108.774 -176.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.651 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.3 p -106.9 159.58 16.15 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 119.941 1.246 . . . . 10.0 111.887 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.767 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 5.4 p -55.16 -40.99 71.28 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 118.894 2.924 . . . . 10.0 118.894 -172.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -14.4 2.39 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 114.695 1.368 . . . . 10.0 114.695 -175.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.459 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 91.0 m-70 -85.78 -16.99 37.08 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 114.458 1.281 . . . . 10.0 114.458 -177.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.566 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -139.19 138.95 37.36 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 118.576 0.625 . . . . 10.0 111.086 -179.176 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p -42.77 138.57 2.24 Favored Pre-proline 0 N--CA 1.434 -1.24 0 O-C-N 124.682 1.239 . . . . 10.0 111.188 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.615 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 7.5 Cg_endo -49.16 -30.04 17.98 Favored 'Trans proline' 0 N--CA 1.449 -1.109 0 C-N-CA 122.99 2.46 . . . . 10.0 112.65 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.462 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -60.05 -50.72 72.61 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 113.559 -1.655 . . . . 10.0 107.39 174.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.599 ' OG ' ' HB3' ' A' ' 76' ' ' ALA . 0.2 OUTLIER -90.34 7.61 37.65 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 -174.507 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.615 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -41.4 -56.54 2.46 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.879 -1.055 . . . . 10.0 113.249 179.731 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.501 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 4.6 pttt -175.75 -139.88 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 112.015 0.376 . . . . 10.0 112.015 -177.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.446 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 6.8 ptm180 -61.0 -12.73 12.42 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.017 0.527 . . . . 10.0 112.354 -178.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.59 6.11 18.72 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.799 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 1.2 t -69.27 -106.33 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.321 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.484 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -101.94 -62.59 1.24 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.346 0.498 . . . . 10.0 112.346 -178.517 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -108.3 -70.97 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.738 -0.665 . . . . 10.0 112.435 -177.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.5 1.06 0.8 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.647 0.61 . . . . 10.0 112.647 -178.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.799 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -142.78 -166.14 2.22 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 -179.789 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.58 HD21 ' O ' ' A' ' 62' ' ' SER . 1.9 mp -63.08 -174.07 0.07 Allowed 'General case' 0 N--CA 1.482 1.146 0 CA-C-O 122.576 1.179 . . . . 10.0 109.518 -176.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.595 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 3.4 mmmm -87.54 101.44 13.62 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 102.651 -3.092 . . . . 10.0 102.651 170.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.415 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -49.02 -5.49 0.02 OUTLIER 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 116.346 1.98 . . . . 10.0 116.346 -177.697 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.13 19.93 18.93 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 121.297 0.57 . . . . 10.0 110.08 176.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.599 ' HB3' ' OG ' ' A' ' 62' ' ' SER . . . -142.87 146.36 34.01 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 123.307 1.527 . . . . 10.0 110.407 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.467 HG23 ' CD1' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -146.7 151.78 43.34 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 111.487 -2.597 . . . . 10.0 108.716 -177.672 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.496 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 1.7 Cg_endo -45.92 120.81 3.76 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 123.514 2.809 . . . . 10.0 106.662 177.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.9 t -123.63 -10.36 7.86 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 113.325 -1.762 . . . . 10.0 109.057 178.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -95.63 6.19 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.504 -177.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.442 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 0.7 OUTLIER -40.08 -48.87 2.53 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.176 0.806 . . . . 10.0 113.176 -178.182 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -172.17 157.94 4.4 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.816 -0.439 . . . . 10.0 109.816 -179.674 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -78.24 -64.95 1.05 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 123.724 0.64 . . . . 10.0 110.195 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.34 -71.42 0.35 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.545 -0.298 . . . . 10.0 110.691 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.404 HG22 ' HH ' ' A' ' 8' ' ' TYR . 2.5 p -164.74 133.83 2.79 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-O 120.572 0.225 . . . . 10.0 110.843 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.98 170.32 9.08 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.069 2.513 . . . . 10.0 112.159 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 87' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.665 -0.683 . . . . 10.0 110.56 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.766 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 O4'-C1'-C2' 107.097 0.907 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.766 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 O4'-C1'-N19 108.768 1.21 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.694 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 O4'-C1'-N19 109.143 1.678 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.694 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O3'-P-O5' 102.033 -1.035 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.616 H2'' ' C7 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-C2' 107.161 0.964 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.616 ' C7 ' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C1'-N19 108.609 1.011 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.824 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.629 0 O4'-C1'-N19 109.039 1.549 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.824 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.653 0 N19-C1'-C2' 116.269 1.293 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.528 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.419 -1.311 0 O4'-C1'-N19 109.407 2.009 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.561 " H2'" HG11 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.419 -1.335 0 O4'-C1'-N19 109.301 1.877 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.102 0 O3'-P-O5' 101.359 -1.39 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.156 0 C2'-C3'-O3' 114.041 1.274 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.556 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 P-O5'-C5' 119.601 -0.812 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.832 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 O4'-C1'-C2' 107.073 0.884 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.086 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.442 0.867 0 O4'-C1'-N19 109.522 2.153 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.086 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.452 2.447 2 N19-C1'-C2' 103.523 -6.673 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.731 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-N19 108.601 1.001 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.731 ' C8 ' H2'' ' C' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.716 0 O4'-C1'-N19 108.673 1.091 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.71 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 O4'-C1'-C2' 107.19 0.991 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.71 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C5'-C4'-C3' 116.258 1.039 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.59 " H2'" HG22 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 O4'-C1'-C2' 107.099 0.908 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.688 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.42 -1.253 0 O4'-C1'-N19 109.209 1.761 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.734 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 P-O5'-C5' 118.479 -1.513 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.415 ' OP2' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-N19 109.1 1.625 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 O4'-C4'-C3' 104.536 -1.064 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.496 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 O4'-C1'-N19 108.834 1.292 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.758 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 O4'-C1'-C2' 107.104 0.913 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.758 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-N19 108.694 1.117 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.665 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.624 0 O4'-C1'-C2' 107.294 1.085 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.426 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 O4'-C4'-C3' 104.649 -0.951 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.502 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 O4'-C1'-N19 108.664 1.08 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.502 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O4'-C1'-C2' 107.103 0.912 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.749 ' SD ' ' HA ' ' A' ' 51' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 108.922 -0.77 . . . . 10.0 108.922 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.501 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 7.5 p -71.32 -21.79 21.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.488 -0.485 . . . . 10.0 109.693 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -55.74 -60.37 3.54 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.725 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.479 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 2.0 t -179.33 170.41 1.37 Allowed 'General case' 0 C--O 1.239 0.503 0 O-C-N 123.406 0.441 . . . . 10.0 110.441 178.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.25 178.27 7.23 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 123.061 1.41 . . . . 10.0 108.07 -177.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 t -82.77 -13.35 56.43 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 111.509 -2.587 . . . . 10.0 110.89 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.75 166.9 18.27 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 106.037 -1.838 . . . . 10.0 106.037 176.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.415 ' CD1' ' HB2' ' A' ' 42' ' ' ARG . 15.8 p90 -101.54 100.11 10.5 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 122.25 1.024 . . . . 10.0 113.336 -175.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.78 -13.12 10.76 Favored Glycine 0 C--N 1.297 -1.617 0 C-N-CA 119.837 -1.173 . . . . 10.0 114.52 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' A' ' 12' ' ' ASN . 42.6 t -88.08 76.17 8.59 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 113.686 0.995 . . . . 10.0 113.686 -177.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 94.9 mttt -74.93 66.15 1.51 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.467 -1.679 . . . . 10.0 106.467 174.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.462 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 0.3 OUTLIER -82.24 43.65 0.81 Allowed 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 118.379 0.536 . . . . 10.0 111.607 -178.563 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.501 ' HD3' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -35.82 138.18 0.19 Allowed 'General case' 0 C--N 1.302 -1.458 0 O-C-N 124.624 1.202 . . . . 10.0 111.114 179.16 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.44 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -45.81 108.86 0.14 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.844 0.683 . . . . 10.0 112.844 -178.063 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.467 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 18.5 t0 -132.84 108.85 9.23 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 106.187 -1.782 . . . . 10.0 106.187 177.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -61.12 -23.27 65.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.791 0.805 . . . . 10.0 111.325 -178.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.428 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -63.7 -27.42 69.2 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.177 -1.374 . . . . 10.0 109.527 178.162 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 3.7 pttp -104.91 146.07 31.94 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 114.8 -1.091 . . . . 10.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -89.47 78.22 0.99 Allowed 'Trans proline' 0 CA--C 1.535 0.555 0 N-CA-C 117.88 2.223 . . . . 10.0 117.88 -176.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.525 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 0.9 OUTLIER -146.8 145.77 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 O-C-N 121.887 -0.508 . . . . 10.0 111.007 176.496 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.49 169.68 8.44 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.378 -0.828 . . . . 10.0 108.879 177.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.44 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -116.24 102.56 9.68 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 118.025 2.602 . . . . 10.0 118.025 -176.281 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.74 ' CE1' ' HE2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -106.25 160.36 15.4 Favored 'General case' 0 C--O 1.194 -1.862 0 N-CA-C 115.161 1.541 . . . . 10.0 115.161 -170.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.72 164.87 12.58 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 119.149 -1.02 . . . . 10.0 111.877 177.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.69 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.7 m-85 -59.44 156.39 31.38 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 118.422 0.555 . . . . 10.0 110.701 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.659 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 68.8 Cg_endo -78.02 67.76 7.99 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.823 2.349 . . . . 10.0 108.949 177.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mt -50.16 -37.52 35.01 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-N 112.44 -2.163 . . . . 10.0 115.653 -177.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.5 p -85.01 -2.0 57.46 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 108.853 -3.794 . . . . 10.0 114.057 -175.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.526 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 3.5 ttm105 -133.59 63.72 65.35 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 105.531 -2.026 . . . . 10.0 105.531 173.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.555 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 4.3 Cg_endo -46.37 -52.6 7.08 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.738 2.959 . . . . 10.0 115.458 -175.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -51.99 -45.44 64.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.053 0.454 . . . . 10.0 110.19 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.526 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 1.9 tm? -69.84 -33.36 72.18 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.104 -1.073 . . . . 10.0 108.104 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.69 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 51.3 t -63.61 -36.72 84.75 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 107.98 -1.119 . . . . 10.0 107.98 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.64 -26.18 66.1 Favored 'General case' 0 N--CA 1.424 -1.758 0 N-CA-C 113.724 1.009 . . . . 10.0 113.724 -175.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.486 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -75.91 -18.44 59.37 Favored 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 116.212 -2.195 . . . . 10.0 109.346 179.746 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.593 ' CD1' HG21 ' A' ' 77' ' ' VAL . 11.6 m0 -61.2 -29.91 70.1 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 106.326 -1.731 . . . . 10.0 106.326 177.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -56.63 -39.06 72.99 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 124.151 1.929 . . . . 10.0 111.458 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -68.07 -29.76 68.79 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 109.732 -3.395 . . . . 10.0 109.838 -175.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.88 -15.34 32.38 Favored 'General case' 0 C--N 1.309 -1.161 0 C-N-CA 120.334 -0.546 . . . . 10.0 110.338 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.502 ' C ' ' H ' ' A' ' 42' ' ' ARG . 4.9 t -91.53 43.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.172 -1.048 . . . . 10.0 108.172 175.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.06 14.37 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.533 1.309 . . . . 10.0 114.533 -178.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.701 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 28.5 tpt180 -86.27 141.59 29.16 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 122.235 -0.29 . . . . 10.0 111.191 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.701 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 27.0 ttpp -71.32 161.47 31.02 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 105.942 -1.873 . . . . 10.0 105.942 175.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.429 ' OD1' ' HG2' ' A' ' 43' ' ' LYS . 0.3 OUTLIER 58.76 36.42 24.81 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.694 -0.854 . . . . 10.0 108.694 -179.315 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.663 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 1.9 t80 -28.58 129.65 0.07 Allowed 'General case' 0 C--N 1.349 0.546 0 O-C-N 125.023 1.452 . . . . 10.0 111.968 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.663 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -57.0 -172.57 0.03 OUTLIER Pre-proline 0 C--O 1.221 -0.445 0 CA-C-N 114.343 -1.299 . . . . 10.0 110.72 178.742 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.744 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 87.4 Cg_exo -46.3 173.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.634 1.556 . . . . 10.0 111.511 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.502 HG22 " H2'" ' C' ' 21' ' ' ' DG' . 38.3 p -81.35 -153.24 0.1 Allowed 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 103.236 -2.875 . . . . 10.0 103.236 173.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.525 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -90.11 -5.87 56.05 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 112.056 -2.338 . . . . 10.0 113.781 -174.052 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.678 ' CD2' ' H5 ' ' C' ' 23' ' ' ' DC' . 82.6 m-85 -76.52 -29.51 56.78 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 105.473 -2.047 . . . . 10.0 105.473 174.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.749 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 11.3 p -64.03 172.67 2.23 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 118.023 -1.471 . . . . 10.0 108.209 173.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.539 ' C ' HD13 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -110.78 161.45 15.77 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 114.598 -1.183 . . . . 10.0 109.399 -179.18 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.541 ' N ' HD13 ' A' ' 53' ' ' ILE . 3.0 mp -129.78 159.47 41.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 108.076 -1.083 . . . . 10.0 108.076 -175.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.597 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.5 p -106.06 157.39 17.57 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 119.658 1.117 . . . . 10.0 111.871 178.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.818 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 0.1 OUTLIER -55.84 -36.85 67.98 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 119.298 3.073 . . . . 10.0 119.298 -172.802 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -15.04 3.21 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 113.137 0.792 . . . . 10.0 113.137 -176.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -86.77 -16.85 35.07 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 114.039 1.125 . . . . 10.0 114.039 -178.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.74 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -120.34 173.81 6.91 Favored 'General case' 0 CA--C 1.497 -1.07 0 CA-C-O 121.155 0.503 . . . . 10.0 110.003 -178.848 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.78 139.5 37.59 Favored Pre-proline 0 N--CA 1.421 -1.895 0 N-CA-C 108.252 -1.018 . . . . 10.0 108.252 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.583 ' O ' ' HB2' ' A' ' 63' ' ' PHE . 6.8 Cg_endo -47.83 -32.84 18.12 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 123.096 2.531 . . . . 10.0 111.891 179.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.573 ' O ' ' HA ' ' A' ' 67' ' ' SER . 0.9 OUTLIER -57.5 -49.48 76.18 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 114.204 -1.362 . . . . 10.0 109.833 177.359 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.492 ' CB ' ' HG2' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -91.56 6.89 43.9 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 114.068 -1.424 . . . . 10.0 114.186 -174.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.818 ' CE1' ' HB3' ' A' ' 55' ' ' SER . 0.4 OUTLIER -37.7 -64.14 0.41 Allowed 'General case' 0 CA--C 1.56 1.335 0 CA-C-N 113.755 -1.566 . . . . 10.0 115.178 179.213 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.638 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -174.91 -129.45 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 119.456 1.025 . . . . 10.0 113.002 -177.774 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.569 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -55.52 -34.14 64.39 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.48 -0.762 . . . . 10.0 110.527 179.702 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 62.0 mp0 -84.7 6.45 24.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.129 -0.941 . . . . 10.0 111.261 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.775 ' OG ' ' HD2' ' A' ' 73' ' ' LYS . 4.3 t -72.3 -91.42 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.072 -0.513 . . . . 10.0 112.046 -179.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -99.93 -72.02 0.68 Allowed 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.393 0.616 . . . . 10.0 110.578 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.506 ' CG ' ' H ' ' A' ' 70' ' ' LYS . 18.7 p-10 -110.56 -65.35 1.17 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.569 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 5.3 tttt -146.44 1.8 0.83 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.659 -0.867 . . . . 10.0 108.659 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.58 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -143.09 -170.19 3.2 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.969 -1.014 . . . . 10.0 109.461 -179.52 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.659 ' CD1' ' HB3' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -63.27 -178.65 0.26 Allowed 'General case' 0 N--CA 1.477 0.88 0 CA-C-O 122.337 1.065 . . . . 10.0 110.241 -175.751 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.775 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 1.1 mmmm -88.4 112.2 22.63 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 104.602 -2.37 . . . . 10.0 104.602 172.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -49.93 -11.46 0.06 Allowed 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 115.358 1.614 . . . . 10.0 115.358 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.71 22.73 15.34 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.151 -0.931 . . . . 10.0 111.332 176.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.0 145.57 34.58 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 123.352 1.549 . . . . 10.0 109.777 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.593 HG21 ' CD1' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -150.67 148.85 24.45 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 111.232 -2.713 . . . . 10.0 108.046 -178.422 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.534 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 2.3 Cg_endo -46.59 121.03 4.37 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.631 2.887 . . . . 10.0 108.376 177.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 t -124.75 -10.24 7.28 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 113.961 -1.472 . . . . 10.0 110.026 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -89.26 5.04 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 115.513 -0.767 . . . . 10.0 112.553 -175.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 6.0 m-30 -40.64 -69.19 0.14 Allowed 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.623 0.971 . . . . 10.0 113.623 -177.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.7 mt -163.67 165.69 23.04 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.884 0.373 . . . . 10.0 110.788 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -68.71 -54.48 15.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.581 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.53 -74.66 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.085 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.2 m -141.88 151.38 59.41 Favored Pre-proline 0 N--CA 1.451 -0.383 0 N-CA-C 108.547 -0.909 . . . . 10.0 108.547 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -67.47 149.11 80.06 Favored 'Trans proline' 0 CA--C 1.515 -0.443 0 C-N-CA 122.767 2.312 . . . . 10.0 111.844 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 . . . . . 0 C--O 1.25 1.084 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.959 178.87 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.883 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.562 0 O5'-C5'-C4' 111.475 0.911 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.883 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 O4'-C4'-C3' 104.625 -0.975 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.763 H2'' ' H73' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O4'-C1'-N19 108.931 1.414 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.763 ' H73' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-N19 108.79 1.238 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.627 " H2'" ' H73' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-N19 108.527 0.908 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.627 ' H73' " H2'" ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-N19 108.726 1.158 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.621 " C2'" ' C7 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.694 0 O4'-C1'-N19 109.412 2.015 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.621 ' C7 ' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 N19-C1'-C2' 116.547 1.467 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.476 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.422 -1.104 0 O4'-C1'-N19 109.341 1.926 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.48 " H3'" HG12 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.42 -1.276 0 O4'-C1'-N19 109.396 1.995 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.805 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 O3'-P-O5' 100.318 -1.938 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.805 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.067 0 C2'-C3'-O3' 113.263 0.986 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.591 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-C2' 107.117 0.925 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.898 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 O4'-C1'-C2' 107.259 1.054 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.047 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.442 0.845 0 O4'-C1'-N19 109.304 1.88 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.047 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.453 2.515 2 N19-C1'-C2' 103.55 -6.656 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.715 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-N19 108.908 1.385 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.715 ' C8 ' H2'' ' C' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-N19 108.779 1.224 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.697 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-C2' 107.16 0.963 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.697 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 O4'-C1'-C2' 107.436 1.214 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.502 " H2'" HG22 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.423 -1.085 0 O4'-C1'-C2' 107.084 0.895 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.641 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.417 -1.462 0 O4'-C1'-N19 109.382 1.978 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.678 ' H5 ' ' CD2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 O3'-P-O5' 100.489 -1.848 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-N19 109.275 1.844 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . 0.488 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 O4'-C1'-N19 108.798 1.248 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.488 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 P-O5'-C5' 119.227 -1.046 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.706 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 O4'-C1'-N19 108.579 0.974 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.706 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 O4'-C1'-C2' 107.156 0.96 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.464 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O4'-C1'-N19 108.703 1.129 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.428 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 O4'-C1'-N19 108.631 1.039 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.55 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-N19 108.612 1.015 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.55 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 O4'-C1'-C2' 107.056 0.869 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.456 ' SD ' ' H73' ' C' ' 20' ' ' ' DT' . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.572 ' CG1' " H2'" ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -69.0 -38.45 78.49 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 CA-C-O 120.868 0.366 . . . . 10.0 110.308 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -56.92 -56.35 22.84 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.522 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -179.84 173.45 1.0 Allowed 'General case' 0 C--O 1.239 0.526 0 O-C-N 123.457 0.473 . . . . 10.0 110.45 179.456 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.678 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 4.3 m -79.99 177.22 9.08 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 122.796 1.284 . . . . 10.0 107.776 -177.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.527 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 30.6 t -82.69 -1.72 52.08 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 111.414 -2.63 . . . . 10.0 110.941 -178.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.456 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . . . -57.99 -149.92 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.98 0.895 . . . . 10.0 113.148 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -113.12 72.34 0.77 Allowed 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.1 -0.704 . . . . 10.0 109.1 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.88 28.07 29.9 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.284 -0.96 . . . . 10.0 113.993 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.459 ' SG ' ' O ' ' A' ' 10' ' ' CYS . 2.0 t -79.39 75.46 5.98 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 117.385 0.592 . . . . 10.0 112.17 -178.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.522 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 18.0 mttt -73.75 65.81 1.04 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.197 -1.038 . . . . 10.0 108.197 176.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.443 ' OD1' ' HE2' ' A' ' 18' ' ' LYS . 2.2 m-80 -93.98 26.68 3.1 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.799 -0.563 . . . . 10.0 112.044 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -23.44 133.63 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 O-C-N 124.784 1.303 . . . . 10.0 111.521 -179.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -37.9 110.45 0.13 Allowed 'General case' 0 C--N 1.349 0.552 0 CA-C-O 122.079 0.942 . . . . 10.0 111.314 -177.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.404 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 15.5 t70 -137.2 109.85 7.52 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 105.307 -2.108 . . . . 10.0 105.307 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -19.38 65.95 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.218 -0.901 . . . . 10.0 110.744 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -28.51 67.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.485 -1.234 . . . . 10.0 108.997 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.443 ' HE2' ' OD1' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -96.92 149.49 35.79 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 107.528 -1.286 . . . . 10.0 107.528 178.056 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -91.08 75.55 0.71 Allowed 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 121.381 1.387 . . . . 10.0 115.543 -177.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.478 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 2.6 m -146.35 146.32 19.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 CA-C-O 121.469 0.652 . . . . 10.0 111.514 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 p -104.14 168.4 9.13 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 114.637 -1.165 . . . . 10.0 108.764 178.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -115.31 102.21 9.65 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 117.509 2.411 . . . . 10.0 117.509 -177.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.799 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -102.06 -173.73 2.41 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 114.613 1.338 . . . . 10.0 114.613 -170.282 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.445 ' CE ' ' H73' ' B' ' 8' ' ' ' DT' . 0.3 OUTLIER -126.57 165.34 19.35 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 104.881 -2.266 . . . . 10.0 104.881 -177.231 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.706 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.5 m-85 -60.86 156.76 44.54 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 119.333 0.969 . . . . 10.0 111.179 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.59 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 78.2 Cg_endo -76.41 86.31 1.58 Allowed 'Trans proline' 0 CA--C 1.513 -0.552 0 C-N-CA 122.581 2.187 . . . . 10.0 107.282 176.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 27' ' ' LEU . 16.7 mt -69.88 -37.11 75.93 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 112.798 -2.001 . . . . 10.0 114.723 -174.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -93.01 9.14 36.97 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 113.145 -1.843 . . . . 10.0 111.272 -176.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.466 ' HD3' ' CB ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -132.99 56.77 23.72 Favored Pre-proline 0 N--CA 1.439 -1.001 0 N-CA-C 105.995 -1.854 . . . . 10.0 105.995 174.211 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.543 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 9.4 Cg_endo -49.78 -49.27 16.39 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.883 3.056 . . . . 10.0 115.219 -175.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.455 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -54.77 -43.52 72.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 118.484 0.583 . . . . 10.0 109.431 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.466 ' CB ' ' HD3' ' A' ' 29' ' ' ARG . 1.3 tm? -70.05 -34.84 73.74 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.943 -1.132 . . . . 10.0 107.943 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.706 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 49.1 t -62.48 -37.04 84.42 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 106.962 -1.496 . . . . 10.0 106.962 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.11 -25.13 66.05 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 113.568 0.951 . . . . 10.0 113.568 -176.626 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -76.68 -21.43 55.4 Favored 'General case' 0 CA--C 1.493 -1.244 0 C-N-CA 116.154 -2.218 . . . . 10.0 108.57 179.463 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.516 ' CD1' HG23 ' A' ' 77' ' ' VAL . 11.8 m0 -58.49 -28.07 65.03 Favored 'General case' 0 N--CA 1.438 -1.032 0 N-CA-C 105.762 -1.94 . . . . 10.0 105.762 177.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -54.94 -48.61 72.94 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-O 123.441 1.591 . . . . 10.0 109.573 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -54.45 -33.66 59.99 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 111.021 -2.809 . . . . 10.0 113.183 179.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.416 ' C ' ' H ' ' A' ' 41' ' ' ARG . . . -87.42 -15.42 37.8 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.639 -0.424 . . . . 10.0 110.218 -179.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.494 HG11 ' O ' ' A' ' 6' ' ' SER . 6.8 t -89.91 45.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 106.998 -1.482 . . . . 10.0 106.998 174.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.416 ' H ' ' C ' ' A' ' 39' ' ' ALA . 0.3 OUTLIER -55.79 13.99 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 113.42 -1.718 . . . . 10.0 115.058 -178.024 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.481 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -103.32 139.97 38.03 Favored 'General case' 0 C--N 1.316 -0.882 0 O-C-N 121.562 -0.711 . . . . 10.0 111.893 -179.016 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.608 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER -57.81 -36.28 72.01 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.252 -0.885 . . . . 10.0 109.884 179.511 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.608 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 11.0 p30 -85.47 61.41 6.84 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.614 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 7.7 t80 -56.34 124.44 18.07 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.798 -1.092 . . . . 10.0 110.186 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.678 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -64.1 -172.64 0.07 OUTLIER Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 114.076 -1.42 . . . . 10.0 110.731 179.167 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.751 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 86.6 Cg_exo -46.3 175.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.133 1.889 . . . . 10.0 112.141 178.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.509 HG22 " H2'" ' C' ' 21' ' ' ' DG' . 33.4 p -82.29 -152.78 0.11 Allowed 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 104.373 -2.454 . . . . 10.0 104.373 173.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.601 ' HD3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -89.97 -3.63 57.91 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 112.353 -2.203 . . . . 10.0 113.92 -173.858 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.74 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 82.4 m-85 -79.1 -30.03 43.61 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 105.638 -1.986 . . . . 10.0 105.638 174.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.751 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 11.8 p -63.31 173.38 1.56 Allowed 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 120.794 1.634 . . . . 10.0 108.457 173.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.621 ' C ' HD11 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.39 163.32 13.51 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 114.206 -1.361 . . . . 10.0 110.81 -177.751 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.621 HD11 ' C ' ' A' ' 52' ' ' SER . 3.2 mp -133.74 158.15 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 108.586 -0.894 . . . . 10.0 108.586 -176.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.662 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 14.1 p -106.13 159.99 15.66 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.643 1.111 . . . . 10.0 111.888 178.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.799 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -56.13 -36.18 67.96 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 119.114 3.005 . . . . 10.0 119.114 -172.764 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -15.86 3.1 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 114.294 1.22 . . . . 10.0 114.294 -176.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.559 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 91.4 m-70 -86.9 -18.71 30.18 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 114.626 1.343 . . . . 10.0 114.626 -176.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.501 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -137.42 137.0 38.34 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-N 118.644 0.656 . . . . 10.0 111.263 -177.875 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.7 p -43.19 138.88 2.47 Favored Pre-proline 0 N--CA 1.433 -1.286 0 O-C-N 124.604 1.19 . . . . 10.0 111.358 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.478 ' HA ' ' CG ' ' A' ' 63' ' ' PHE . 8.8 Cg_endo -50.06 -29.28 21.42 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 122.85 2.366 . . . . 10.0 111.961 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.451 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 2.1 m-20 -59.82 -51.46 69.64 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 113.815 -1.539 . . . . 10.0 107.55 174.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.588 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -89.1 6.54 39.41 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 113.935 1.087 . . . . 10.0 113.935 -175.002 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.478 ' CG ' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -40.73 -59.05 1.49 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.753 -1.112 . . . . 10.0 113.795 179.372 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.474 ' HE3' ' OE2' ' A' ' 66' ' ' GLU . 29.2 pttt -173.74 -142.72 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -176.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.415 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -57.12 -12.98 2.49 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.515 0.932 . . . . 10.0 113.515 -178.8 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.474 ' OE2' ' HE3' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -82.95 5.45 21.94 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.209 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.814 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 3.0 t -71.42 -106.16 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.835 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.445 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -98.74 -71.51 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.942 0.401 . . . . 10.0 111.311 -177.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -103.5 -70.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.169 -0.468 . . . . 10.0 111.204 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -145.14 1.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.386 0.513 . . . . 10.0 112.386 -177.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.814 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -140.8 -165.51 1.96 Allowed 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 118.493 -0.765 . . . . 10.0 110.163 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.59 ' CD1' ' HB3' ' A' ' 26' ' ' PRO . 3.2 mp -62.47 -172.01 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 123.063 1.411 . . . . 10.0 110.637 -175.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.631 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 5.1 mmmm -87.92 101.98 14.26 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 102.795 -3.039 . . . . 10.0 102.795 170.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.46 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -48.23 -7.42 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 116.308 1.966 . . . . 10.0 116.308 -178.136 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.56 16.38 22.25 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-O 121.012 0.434 . . . . 10.0 110.973 175.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.434 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -137.63 147.47 44.99 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 123.218 1.485 . . . . 10.0 110.171 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.516 HG23 ' CD1' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -148.79 151.22 34.82 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 111.364 -2.653 . . . . 10.0 108.549 -177.449 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.559 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 2.8 Cg_endo -49.17 123.06 9.45 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.84 2.36 . . . . 10.0 107.258 176.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -124.71 -9.47 7.31 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 113.626 -1.625 . . . . 10.0 108.805 176.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.48 HD13 HG22 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -91.54 6.81 5.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.673 -175.719 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.508 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 2.2 m-30 -39.72 -46.13 1.83 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.943 1.09 . . . . 10.0 113.943 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.92 170.29 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 -179.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -77.67 -74.31 0.26 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.429 -0.952 . . . . 10.0 108.429 178.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.57 -63.22 0.48 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.313 178.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.461 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.7 p -159.83 133.69 5.07 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.518 -0.31 . . . . 10.0 110.69 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 7.9 Cg_exo -68.7 169.8 16.68 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.906 2.404 . . . . 10.0 111.177 178.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.774 0 CA-C-O 118.061 -0.971 . . . . 10.0 109.987 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.856 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 O4'-C4'-C3' 104.887 -0.713 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.856 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-N19 108.739 1.174 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.815 H2'' ' H72' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.059 0 O4'-C1'-N19 109.371 1.964 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.815 ' H72' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 O4'-C1'-N19 108.649 1.061 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.648 H2'' ' C7 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O3'-P-O5' 102.237 -0.928 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.648 ' C7 ' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O4'-C1'-N19 108.708 1.135 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.696 " C2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.6 0 O4'-C1'-N19 109.07 1.587 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.696 ' H72' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 N19-C1'-C2' 116.516 1.448 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.478 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.267 0 O4'-C1'-N19 109.255 1.819 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.572 " H2'" ' CG1' ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.421 -1.211 0 O4'-C1'-N19 109.285 1.857 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.427 ' OP2' HG22 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 O3'-P-O5' 100.791 -1.689 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.458 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.422 -1.099 0 C2'-C3'-O3' 113.804 1.187 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.491 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O4'-C1'-C2' 107.192 0.993 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.834 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.677 0 O4'-C1'-N19 108.54 0.925 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.108 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.029 0 O4'-C1'-N19 109.871 2.589 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.108 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.451 2.366 2 N19-C1'-C2' 104.094 -6.316 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.706 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-N19 108.974 1.467 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.752 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 O4'-C1'-N19 109.091 1.614 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.804 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.633 0 O4'-C1'-C2' 107.202 1.002 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.804 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 N19-C1'-C2' 115.978 1.111 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.509 " H2'" HG22 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C1'-C2' 107.099 0.908 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.71 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.418 -1.367 0 O4'-C1'-N19 109.318 1.897 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.74 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 O3'-P-O5' 101.073 -1.541 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O4'-C1'-N19 108.913 1.392 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . 0.507 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.046 0 O4'-C1'-N19 108.727 1.159 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.712 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O3'-P-O5' 100.868 -1.648 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.712 ' C8 ' H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-N19 108.477 0.846 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.684 ' C6 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-N19 108.727 1.159 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.604 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-C2' 107.111 0.919 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.474 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C1'-N19 108.97 1.463 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.532 H2'' ' C6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.713 0 O4'-C1'-C2' 107.042 0.856 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.532 ' C6 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.029 0 O4'-C1'-C2' 106.956 0.779 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 ptp . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.548 HG21 " H2'" ' B' ' 10' ' ' ' DG' . 0.2 OUTLIER -82.64 -11.39 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 N-CA-C 110.153 -0.314 . . . . 10.0 110.153 178.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.664 ' NE2' ' H73' ' C' ' 20' ' ' ' DT' . 23.5 mt-30 -47.77 -58.69 4.02 Favored 'General case' 0 C--O 1.236 0.385 0 O-C-N 124.006 0.816 . . . . 10.0 110.679 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.564 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 3.2 t -179.06 168.35 1.57 Allowed 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 121.229 0.538 . . . . 10.0 111.573 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.77 160.35 28.44 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 107.017 -1.475 . . . . 10.0 107.017 -176.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.588 ' HA ' ' HB3' ' A' ' 46' ' ' LYS . 1.5 m -69.22 3.71 2.04 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 113.252 -1.795 . . . . 10.0 113.147 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.415 ' HA ' ' CE2' ' A' ' 81' ' ' PHE . . . -59.09 -146.23 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 121.742 0.782 . . . . 10.0 110.364 176.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.429 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 10.9 p90 -135.68 68.99 1.44 Allowed 'General case' 0 C--N 1.31 -1.147 0 O-C-N 120.649 -1.282 . . . . 10.0 108.375 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.48 6.49 8.02 Favored Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 118.57 -1.776 . . . . 10.0 115.144 178.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.5 t -91.21 73.33 6.25 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 113.374 0.879 . . . . 10.0 113.374 -177.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.564 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 8.5 mmmt -73.53 65.82 0.96 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.606 -1.257 . . . . 10.0 107.606 176.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.09 35.04 0.85 Allowed 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.719 -0.613 . . . . 10.0 111.851 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -24.81 135.7 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 O-C-N 124.929 1.393 . . . . 10.0 112.404 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.589 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -40.2 112.09 0.25 Allowed 'General case' 0 N--CA 1.478 0.96 0 CA-C-O 121.754 0.787 . . . . 10.0 110.842 -178.268 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.516 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 15.4 t0 -133.57 106.2 7.29 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 107.25 -1.389 . . . . 10.0 107.25 177.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -59.16 -15.4 14.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.843 0.83 . . . . 10.0 111.013 179.862 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.404 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 11.1 m-20 -76.92 -24.19 52.45 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.557 -1.201 . . . . 10.0 109.35 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -101.99 150.31 37.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 107.502 -1.296 . . . . 10.0 107.502 179.216 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -90.73 74.06 0.95 Allowed 'Trans proline' 0 N--CA 1.46 -0.5 0 N-CA-C 115.898 1.461 . . . . 10.0 115.898 -178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.53 ' HA ' ' HG ' ' A' ' 55' ' ' SER . 0.9 OUTLIER -146.39 149.24 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-O 121.242 0.544 . . . . 10.0 112.162 176.806 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 p -111.66 169.3 8.92 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 108.168 -1.049 . . . . 10.0 108.168 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.589 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -113.7 103.76 11.55 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 117.503 2.409 . . . . 10.0 117.503 -176.143 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.759 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.76 159.2 16.67 Favored 'General case' 0 C--O 1.199 -1.598 0 N-CA-C 114.645 1.35 . . . . 10.0 114.645 -171.503 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.636 ' NZ ' ' H73' ' B' ' 8' ' ' ' DT' . 12.2 mtmm -95.01 165.48 12.41 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 118.289 -1.364 . . . . 10.0 111.266 178.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.704 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 2.2 m-85 -58.24 157.98 15.49 Favored Pre-proline 0 N--CA 1.469 0.496 0 CA-C-N 118.812 0.733 . . . . 10.0 111.254 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.567 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 98.5 Cg_endo -74.51 85.6 1.43 Allowed 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.887 2.391 . . . . 10.0 107.56 176.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 27' ' ' LEU . 17.5 mt -70.29 -34.83 73.23 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 112.351 -2.204 . . . . 10.0 114.999 -173.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 p -93.65 8.78 39.59 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 113.521 -1.672 . . . . 10.0 111.745 -176.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.51 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 3.8 ttm105 -135.03 63.22 56.54 Favored Pre-proline 0 N--CA 1.445 -0.715 0 N-CA-C 106.059 -1.83 . . . . 10.0 106.059 173.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.427 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.5 Cg_endo -50.19 -50.75 12.55 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.512 2.808 . . . . 10.0 114.324 -175.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -48.17 51.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.416 0.627 . . . . 10.0 109.346 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.51 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 2.2 tm? -69.17 -34.6 75.21 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.92 -1.036 . . . . 10.0 109.101 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.704 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 17.0 t -62.39 -36.75 83.27 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 107.893 -1.151 . . . . 10.0 107.893 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -68.89 -24.75 64.36 Favored 'General case' 0 N--CA 1.424 -1.742 0 N-CA-C 113.442 0.905 . . . . 10.0 113.442 -175.837 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.7 OUTLIER -74.96 -24.62 58.49 Favored 'General case' 0 CA--C 1.494 -1.18 0 C-N-CA 115.557 -2.457 . . . . 10.0 108.873 178.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.537 ' CD1' HG21 ' A' ' 77' ' ' VAL . 11.0 m0 -57.64 -29.71 64.79 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 105.281 -2.118 . . . . 10.0 105.281 177.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -53.99 -50.72 65.93 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 124.115 1.912 . . . . 10.0 110.085 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.85 -33.95 62.36 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 109.944 -3.298 . . . . 10.0 112.522 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.29 -13.9 42.39 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 120.174 -0.61 . . . . 10.0 110.829 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 40' ' ' VAL . 9.9 t -92.75 33.33 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-O 122.028 0.918 . . . . 10.0 108.527 173.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.411 ' NH1' HG11 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -62.05 13.6 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.523 1.675 . . . . 10.0 115.523 -176.56 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -81.24 157.44 25.19 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 121.549 -0.719 . . . . 10.0 110.939 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -57.08 -51.51 68.99 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.307 0.575 . . . . 10.0 110.239 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.17 64.89 8.82 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.605 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.637 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 1.1 t80 -52.46 118.69 3.76 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 177.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.637 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 1.2 tttp -63.02 -170.93 0.04 OUTLIER Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.503 1.121 . . . . 10.0 110.949 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.491 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 51.3 Cg_exo -43.67 175.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 123.019 2.479 . . . . 10.0 114.309 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.441 HG22 " C2'" ' C' ' 21' ' ' ' DG' . 37.5 p -84.81 -153.62 0.16 Allowed 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 102.773 -3.047 . . . . 10.0 102.773 172.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.555 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.28 -4.28 57.25 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 111.222 -2.717 . . . . 10.0 113.983 -173.293 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.735 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 90.8 m-85 -80.1 -29.04 38.98 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 105.578 -2.008 . . . . 10.0 105.578 174.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.491 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 0.9 OUTLIER -65.25 171.24 3.94 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 120.477 1.489 . . . . 10.0 108.843 174.003 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -109.77 161.18 15.67 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.016 -0.993 . . . . 10.0 109.802 -178.213 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.508 HD11 ' N ' ' A' ' 53' ' ' ILE . 4.2 mp -129.02 156.58 41.73 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 CA-C-N 113.956 -1.475 . . . . 10.0 108.627 -175.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.566 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 12.9 p -105.26 154.42 20.27 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.742 0.782 . . . . 10.0 110.279 178.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.759 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -55.38 -35.35 65.19 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 119.228 3.047 . . . . 10.0 119.228 -172.034 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -15.61 3.72 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 113.767 1.025 . . . . 10.0 113.767 -177.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.519 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 89.3 m-70 -80.79 -18.7 46.75 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 114.214 1.19 . . . . 10.0 114.214 -177.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.19 133.55 33.41 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 -178.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.3 p -39.48 140.01 0.82 Allowed Pre-proline 0 CA--C 1.499 -0.986 0 O-C-N 124.969 1.418 . . . . 10.0 110.86 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -51.23 -29.9 31.09 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.514 2.143 . . . . 10.0 111.971 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.416 ' OD2' ' HB ' ' A' ' 59' ' ' THR . 0.9 OUTLIER -61.39 -49.44 76.91 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 105.451 -2.055 . . . . 10.0 105.451 174.108 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.819 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 4.1 m -82.68 6.37 18.14 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 115.607 1.706 . . . . 10.0 115.607 -173.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.41 ' HD1' ' HA ' ' A' ' 63' ' ' PHE . 1.0 OUTLIER -44.87 -76.07 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 114.291 -1.322 . . . . 10.0 114.417 179.585 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.568 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 5.0 pttp -166.92 -141.5 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.261 1.208 . . . . 10.0 114.261 -176.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.566 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 0.7 OUTLIER -50.29 -18.86 0.68 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.081 1.352 . . . . 10.0 114.186 -177.889 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.471 ' CD ' ' HZ1' ' A' ' 64' ' ' LYS . 19.7 mp0 -77.35 5.93 7.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.068 0.461 . . . . 10.0 109.794 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.835 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 13.7 t -66.37 -111.91 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.331 -0.85 . . . . 10.0 112.222 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.438 ' N ' ' HG ' ' A' ' 67' ' ' SER . 3.1 m120 -100.46 -67.58 0.85 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.941 0.348 . . . . 10.0 111.941 -178.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.421 ' CG ' ' N ' ' A' ' 70' ' ' LYS . 1.4 p-10 -103.4 -66.35 0.95 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 120.473 -0.491 . . . . 10.0 112.279 -179.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.421 ' N ' ' CG ' ' A' ' 69' ' ' ASN . 26.3 mmtm -147.95 -2.41 0.54 Allowed 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 113.864 1.061 . . . . 10.0 113.864 -177.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.835 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -140.87 -159.21 0.93 Allowed 'General case' 0 C--O 1.207 -1.184 0 C-N-CA 120.094 -0.643 . . . . 10.0 111.215 -177.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.567 ' CD1' ' HB3' ' A' ' 26' ' ' PRO . 1.2 mp -70.61 -167.49 0.19 Allowed 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 123.431 1.586 . . . . 10.0 110.302 -177.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.819 ' CD ' ' HA ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -90.13 102.84 15.55 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 111.68 -2.509 . . . . 10.0 105.212 172.286 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.472 ' HB2' ' NE ' ' A' ' 29' ' ' ARG . 4.4 tt0 -47.08 -10.14 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 115.903 1.816 . . . . 10.0 115.903 -179.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -109.46 18.74 20.06 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.567 -0.742 . . . . 10.0 111.859 175.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 73' ' ' LYS . . . -141.58 148.35 39.13 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 123.82 1.771 . . . . 10.0 110.845 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.537 HG21 ' CD1' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -152.8 150.04 23.56 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 110.075 -3.239 . . . . 10.0 108.96 -176.617 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.525 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 0.9 OUTLIER -44.92 124.74 6.03 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.904 3.069 . . . . 10.0 108.764 176.809 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.6 p -124.73 -11.78 7.19 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 113.754 -1.566 . . . . 10.0 110.067 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.409 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 1.7 mm -90.46 9.15 3.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 115.579 -0.737 . . . . 10.0 112.363 -174.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.519 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 3.1 m-30 -38.89 -40.87 0.69 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.376 1.251 . . . . 10.0 114.376 -177.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.429 ' HB2' ' CE1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -167.9 173.22 8.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.821 0.343 . . . . 10.0 110.576 179.444 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -67.49 -31.5 71.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.884 0.85 . . . . 10.0 111.392 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.99 -33.96 76.52 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.239 -1.346 . . . . 10.0 112.395 -178.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.411 HG11 ' NH1' ' A' ' 41' ' ' ARG . 3.1 m -88.69 116.13 65.39 Favored Pre-proline 0 C--O 1.235 0.341 0 C-N-CA 120.251 -0.58 . . . . 10.0 111.98 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.17 148.63 85.31 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 123.011 2.474 . . . . 10.0 111.339 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.9 ptt-85 . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.204 -0.903 . . . . 10.0 110.343 -179.044 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.854 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.574 0 O4'-C4'-C3' 104.863 -0.737 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.854 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 O4'-C1'-N19 108.633 1.041 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.621 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.992 0 O4'-C1'-N19 109.222 1.777 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.621 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O3'-P-O5' 101.887 -1.112 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.606 H2'' ' C5 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-C2' 106.972 0.793 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.606 ' C5 ' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-N19 108.959 1.449 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.726 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.684 0 O4'-C1'-N19 109.613 2.266 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.726 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C5'-C4'-C3' 112.881 -1.213 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.493 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.24 0 O4'-C1'-N19 109.549 2.187 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.548 " H2'" HG21 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.418 -1.401 0 O4'-C1'-N19 109.361 1.951 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.679 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O3'-P-O5' 100.886 -1.639 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.679 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C2'-C3'-O3' 113.346 1.017 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.569 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 C2'-C3'-O3' 112.969 0.878 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.971 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 O4'-C1'-C2' 106.971 0.792 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.0 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.443 0.932 0 O4'-C1'-N19 109.781 2.476 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.0 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.452 2.436 2 N19-C1'-C2' 104.317 -6.177 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.575 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C1'-N19 109.117 1.646 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.754 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.675 0 O4'-C1'-N19 108.646 1.058 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.787 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 O4'-C1'-C2' 107.108 0.916 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.787 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.099 0 O4'-C1'-C2' 107.282 1.075 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.462 ' OP2' ' HA ' ' A' ' 47' ' ' PRO . . . . . . . . 0 O5'--C5' 1.424 -1.006 0 O4'-C1'-C2' 107.155 0.959 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.638 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.417 -1.425 0 O4'-C1'-N19 109.308 1.885 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.735 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-N19 109.18 1.725 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-N19 109.204 1.755 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . 0.437 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.955 0 O4'-C4'-C3' 104.481 -1.119 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.437 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-N19 109.013 1.516 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.708 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 106.977 0.798 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.708 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-N19 108.839 1.299 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.56 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-N19 108.653 1.066 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.523 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C4'-C3' 104.681 -0.919 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.55 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 O4'-C1'-C2' 107.071 0.882 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.55 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-C2' 107.006 0.824 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.681 ' SD ' ' H73' ' C' ' 20' ' ' ' DT' . 3.3 ptp . . . . . 0 N--CA 1.484 1.235 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.63 HG22 H2'' ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -69.85 -45.35 77.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 O-C-N 123.174 0.296 . . . . 10.0 110.563 179.682 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.558 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 5.0 mt-30 -51.15 -50.01 59.77 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 123.99 0.806 . . . . 10.0 108.847 179.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.56 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -177.51 168.68 2.22 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.206 -0.906 . . . . 10.0 110.921 178.746 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.8 m -78.57 175.44 10.36 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 123.052 1.406 . . . . 10.0 107.923 -177.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.579 ' O ' HG11 ' A' ' 40' ' ' VAL . 33.0 t -81.36 -3.83 53.88 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 111.685 -2.507 . . . . 10.0 111.461 -178.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.48 -148.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.825 0.821 . . . . 10.0 112.839 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -114.71 68.78 0.7 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.91 36.52 7.71 Favored Glycine 0 N--CA 1.435 -1.416 0 C-N-CA 119.834 -1.174 . . . . 10.0 114.988 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.429 ' O ' ' SG ' ' A' ' 10' ' ' CYS . 4.5 t -90.04 75.52 7.11 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.591 0.71 . . . . 10.0 112.349 -178.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.56 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 17.4 mttt -72.93 60.73 0.54 Allowed 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 177.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.439 ' OD1' ' HE2' ' A' ' 18' ' ' LYS . 1.1 m-80 -90.31 30.39 1.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.706 -0.621 . . . . 10.0 111.163 -179.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -27.14 135.91 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 O-C-N 124.963 1.414 . . . . 10.0 111.174 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -43.28 111.01 0.23 Allowed 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 122.269 1.033 . . . . 10.0 111.65 -176.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.625 ' OD2' ' HB2' ' A' ' 17' ' ' ASP . 24.8 t70 -134.66 112.08 10.51 Favored 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 104.955 -2.239 . . . . 10.0 104.955 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -17.1 62.05 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.704 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.625 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . 2.8 m-20 -72.46 -25.93 61.63 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.361 -1.29 . . . . 10.0 109.566 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -98.14 145.64 30.15 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 108.267 -1.012 . . . . 10.0 108.267 178.868 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -89.07 75.75 1.44 Allowed 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 121.868 1.712 . . . . 10.0 116.299 -177.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.411 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 1.7 m -147.97 148.24 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-O 121.611 0.72 . . . . 10.0 111.388 177.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.0 p -105.7 168.61 8.99 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 115.016 -0.993 . . . . 10.0 108.839 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.42 102.16 9.57 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 118.231 2.678 . . . . 10.0 118.231 -177.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.789 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -99.76 -174.27 2.66 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.764 -1.21 . . . . 10.0 114.201 -170.053 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.546 ' CE ' ' H73' ' B' ' 8' ' ' ' DT' . 2.9 mtpt -127.96 165.56 20.02 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 105.347 -2.094 . . . . 10.0 105.347 -177.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.734 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.6 m-85 -60.0 152.31 61.16 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 119.258 0.935 . . . . 10.0 111.062 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HD3' ' CH2' ' A' ' 36' ' ' TRP . 74.1 Cg_endo -76.66 67.08 7.35 Favored 'Trans proline' 0 CA--C 1.516 -0.381 0 C-N-CA 122.949 2.433 . . . . 10.0 108.326 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.548 HD22 ' HG3' ' A' ' 49' ' ' LYS . 7.7 mt -49.66 -36.78 25.96 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-O 124.515 2.102 . . . . 10.0 114.817 -177.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.0 p -88.07 -1.93 58.3 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 109.49 -3.505 . . . . 10.0 113.48 -176.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.523 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -128.18 61.51 53.22 Favored Pre-proline 0 N--CA 1.442 -0.844 0 N-CA-C 105.506 -2.035 . . . . 10.0 105.506 174.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.492 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 8.4 Cg_endo -48.71 -56.41 3.18 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 124.225 3.283 . . . . 10.0 116.504 -174.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.84 -40.07 69.23 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.596 HD22 ' O ' ' A' ' 76' ' ' ALA . 1.2 tm? -71.86 -33.86 68.76 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.738 -1.208 . . . . 10.0 107.738 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.734 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 18.6 t -64.61 -37.13 86.53 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 106.965 -1.494 . . . . 10.0 106.965 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -68.68 -24.0 64.45 Favored 'General case' 0 N--CA 1.417 -2.079 0 N-CA-C 113.413 0.894 . . . . 10.0 113.413 -175.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.479 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 1.2 pt-20 -77.29 -18.21 57.73 Favored 'General case' 0 CA--C 1.495 -1.16 0 C-N-CA 116.535 -2.066 . . . . 10.0 109.029 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.683 ' O ' HG22 ' A' ' 40' ' ' VAL . 11.9 m0 -61.59 -28.4 69.33 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 106.284 -1.747 . . . . 10.0 106.284 177.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -57.7 -39.99 78.46 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-O 124.006 1.86 . . . . 10.0 111.409 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -69.57 -29.33 66.86 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 109.727 -3.397 . . . . 10.0 109.758 -174.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.6 -14.15 38.24 Favored 'General case' 0 C--N 1.306 -1.299 0 C-N-CA 120.216 -0.594 . . . . 10.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 36' ' ' TRP . 8.8 t -93.82 36.14 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-O 122.105 0.955 . . . . 10.0 108.829 174.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.38 13.31 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 116.644 2.09 . . . . 10.0 116.644 -178.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.445 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -94.07 147.46 23.12 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 119.089 0.859 . . . . 10.0 111.403 -179.613 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.3 tttt -53.56 -46.98 70.46 Favored 'General case' 0 CA--C 1.508 -0.668 0 O-C-N 123.755 0.659 . . . . 10.0 111.268 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.66 66.31 9.5 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 115.007 -0.997 . . . . 10.0 110.16 -179.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.544 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 5.4 t80 -55.17 118.39 4.32 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.298 -0.865 . . . . 10.0 109.173 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.567 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -57.51 -172.58 0.03 OUTLIER Pre-proline 0 CA--C 1.551 1.001 0 CA-C-N 114.576 -1.193 . . . . 10.0 111.311 178.814 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.763 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 84.2 Cg_exo -44.74 175.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 C-N-CA 122.237 1.958 . . . . 10.0 112.931 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.505 HG22 " H2'" ' C' ' 21' ' ' ' DG' . 34.2 p -81.88 -155.79 0.14 Allowed 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 103.745 -2.687 . . . . 10.0 103.745 173.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.548 ' HG3' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -89.33 -2.85 58.59 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 111.589 -2.55 . . . . 10.0 113.619 -173.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.692 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 84.6 m-85 -78.67 -31.11 46.56 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 105.12 -2.178 . . . . 10.0 105.12 174.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.763 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 10.2 p -62.52 173.24 1.29 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 121.205 1.821 . . . . 10.0 109.052 175.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.552 ' C ' HD11 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.77 162.38 14.52 Favored 'General case' 0 N--CA 1.429 -1.509 0 CA-C-N 114.189 -1.369 . . . . 10.0 110.829 -177.527 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.552 HD11 ' C ' ' A' ' 52' ' ' SER . 3.4 mp -131.48 156.51 42.7 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.658 0 CA-C-N 115.066 -0.97 . . . . 10.0 108.534 -175.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.698 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 14.2 p -105.94 161.69 14.24 Favored 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 119.641 1.11 . . . . 10.0 112.23 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.789 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.3 p -59.45 -34.96 73.17 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 119.278 3.066 . . . . 10.0 119.278 -171.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -14.58 3.58 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 114.366 1.247 . . . . 10.0 114.366 -176.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.555 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 90.8 m-70 -87.27 -15.84 36.93 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 115.099 1.518 . . . . 10.0 115.099 -176.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.448 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -138.16 141.28 40.09 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 119.795 -0.762 . . . . 10.0 111.176 -177.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 p -45.64 137.42 5.61 Favored Pre-proline 0 N--CA 1.423 -1.777 0 CA-C-N 114.271 -1.331 . . . . 10.0 110.12 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.49 ' HA ' ' CD1' ' A' ' 63' ' ' PHE . 8.0 Cg_endo -48.83 -30.1 16.46 Favored 'Trans proline' 0 C--N 1.318 -1.035 0 C-N-CA 123.481 2.787 . . . . 10.0 112.33 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.618 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 7.0 m-20 -62.35 -46.65 87.74 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 113.443 -1.708 . . . . 10.0 108.049 176.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.627 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -91.92 7.08 43.72 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 113.761 1.023 . . . . 10.0 113.761 -175.692 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.49 ' CD1' ' HA ' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -40.48 -58.98 1.44 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.42 -1.264 . . . . 10.0 113.276 179.021 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.476 ' HD2' ' OP1' ' B' ' 8' ' ' ' DT' . 10.2 pttp -174.11 -136.54 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 112.919 0.711 . . . . 10.0 112.919 -178.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.406 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 1.1 ptm180 -62.95 -16.86 60.94 Favored 'General case' 0 C--N 1.342 0.274 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -177.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -83.35 7.23 17.25 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.918 0.389 . . . . 10.0 110.254 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.808 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 1.8 t -67.76 -103.87 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.694 -0.685 . . . . 10.0 111.625 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.445 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.2 OUTLIER -99.37 -71.57 0.69 Allowed 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 120.884 0.373 . . . . 10.0 110.757 -179.25 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -100.89 -70.98 0.72 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.67 -0.696 . . . . 10.0 112.107 -178.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.64 2.66 0.95 Allowed 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 112.56 0.578 . . . . 10.0 112.56 -178.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.808 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -144.86 -164.84 2.01 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.944 -0.762 . . . . 10.0 108.944 179.359 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.627 HD21 ' O ' ' A' ' 62' ' ' SER . 4.0 mp -63.18 -172.27 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 123.488 1.613 . . . . 10.0 109.744 -176.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.733 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -90.64 103.87 16.52 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 104.413 -2.44 . . . . 10.0 104.413 170.477 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.523 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -51.44 -4.26 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 115.622 1.712 . . . . 10.0 115.622 -179.004 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.431 ' H ' ' C ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -108.95 18.17 20.96 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.216 -0.902 . . . . 10.0 110.534 175.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.596 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -144.36 150.64 38.1 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 122.902 1.334 . . . . 10.0 109.936 -179.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 79' ' ' THR . 0.1 OUTLIER -152.45 151.15 26.64 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 111.933 -2.394 . . . . 10.0 109.464 -177.447 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.577 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 2.2 Cg_endo -46.43 120.41 3.81 Favored 'Trans proline' 0 C--N 1.362 1.281 0 C-N-CA 123.505 2.803 . . . . 10.0 105.764 176.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 77' ' ' VAL . 21.9 p -123.65 -10.6 7.83 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 113.609 -1.632 . . . . 10.0 110.162 177.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -91.38 4.9 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.674 -0.693 . . . . 10.0 110.97 -176.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.411 ' HD1' ' ND1' ' A' ' 57' ' ' HIS . 1.6 m-30 -38.39 -49.26 1.43 Allowed 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 113.779 1.029 . . . . 10.0 113.779 -177.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -174.63 159.45 2.9 Favored 'General case' 0 CA--C 1.513 -0.445 0 O-C-N 123.273 0.358 . . . . 10.0 110.227 -179.347 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -80.2 -76.98 0.2 Allowed 'General case' 0 C--O 1.235 0.29 0 O-C-N 124.085 0.866 . . . . 10.0 110.442 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.77 -78.58 0.59 Allowed 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.463 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 p -152.51 132.32 7.15 Favored Pre-proline 0 CA--C 1.53 0.178 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -65.77 -179.59 1.36 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.688 2.259 . . . . 10.0 112.143 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.316 -0.863 0 CA-C-O 117.597 -1.192 . . . . 10.0 109.785 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.881 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-N19 108.594 0.993 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.881 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O4'-C1'-N19 108.645 1.056 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.601 H2'' ' C7 ' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.422 -1.139 0 O4'-C1'-N19 109.264 1.83 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.601 ' C7 ' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.422 -1.106 0 O4'-C4'-C3' 104.614 -0.986 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.758 H2'' ' C5 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.058 0 O4'-C1'-C2' 106.94 0.764 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.758 ' C5 ' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-N19 108.459 0.823 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.72 " C2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 O4'-C1'-N19 108.978 1.473 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.72 ' H72' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 N19-C1'-C2' 116.885 1.678 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.512 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.399 0 O4'-C1'-N19 108.951 1.439 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.63 H2'' HG22 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.421 -1.213 0 N19-C1'-C2' 117.111 1.819 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.14 0 O3'-P-O5' 100.593 -1.793 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.474 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.087 0 C2'-C3'-O3' 114.161 1.319 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.558 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 O4'-C1'-C2' 107.262 1.057 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.926 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 O4'-C4'-C3' 104.748 -0.852 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 0.996 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.024 0 O4'-C1'-N19 109.669 2.336 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.996 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.452 2.447 2 N19-C1'-C2' 104.521 -6.049 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.719 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.511 -0.686 0 O4'-C1'-N19 108.775 1.219 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.792 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.074 0 O4'-C1'-N19 108.878 1.348 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.792 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 O4'-C1'-C2' 107.218 1.017 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.771 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 O4'-C1'-C2' 107.126 0.932 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.505 " H2'" HG22 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C4'-C3' 104.802 -0.798 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.632 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.42 -1.26 0 O5'-P-OP2 105.045 -1.206 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.692 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.429 -0.679 0 O4'-C1'-N19 109.261 1.826 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C1'-N19 108.797 1.247 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C4'-C3' 104.467 -1.133 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.512 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 O3'-P-O5' 101.575 -1.276 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.79 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 O4'-C4'-C3' 104.753 -0.847 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.79 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 O4'-C1'-C2' 107.259 1.054 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.615 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 O4'-C1'-N19 108.88 1.35 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.488 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 O5'-C5'-C4' 111.893 1.209 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.617 H2'' ' C6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 P--O3' 1.599 -0.63 0 O4'-C1'-N19 108.692 1.115 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.617 ' C6 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-C2' 107.079 0.89 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.535 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -177.34 165.37 2.23 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.516 0.51 . . . . 10.0 110.335 178.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.413 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 8.0 m -78.89 174.68 11.26 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-O 122.903 1.335 . . . . 10.0 107.723 -176.347 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.512 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 6.7 t -80.08 -0.62 36.45 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 111.419 -2.628 . . . . 10.0 110.938 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.8 -150.07 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 122.01 0.909 . . . . 10.0 113.14 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -114.25 68.55 0.69 Allowed 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 108.49 -0.93 . . . . 10.0 108.49 -178.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.41 34.48 7.98 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.566 -0.826 . . . . 10.0 114.532 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.473 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 9.1 t -86.31 76.1 9.73 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 4.0 mmtp -74.91 61.75 1.06 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 176.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -93.22 24.92 3.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 118.952 -0.546 . . . . 10.0 111.696 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -24.98 136.6 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 O-C-N 124.561 1.163 . . . . 10.0 111.724 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -36.77 107.01 0.05 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 122.132 0.967 . . . . 10.0 112.686 -176.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.499 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 8.6 t0 -131.75 108.02 9.17 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 105.571 -2.011 . . . . 10.0 105.571 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -18.88 47.44 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.408 -1.269 . . . . 10.0 111.403 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.499 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -73.64 -24.55 60.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.147 -0.933 . . . . 10.0 109.383 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.443 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -102.59 133.41 20.5 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 114.587 -1.188 . . . . 10.0 108.695 179.705 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.81 75.84 4.59 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 121.463 1.442 . . . . 10.0 115.561 -177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.422 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 4.1 m -143.06 144.2 24.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 121.349 0.595 . . . . 10.0 111.912 177.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.55 169.7 8.31 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.01 -0.996 . . . . 10.0 108.89 178.149 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -118.43 102.38 8.88 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 118.163 2.653 . . . . 10.0 118.163 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.654 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -107.85 159.81 16.23 Favored 'General case' 0 C--O 1.195 -1.8 0 N-CA-C 115.18 1.548 . . . . 10.0 115.18 -171.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 14.3 mtpt -95.23 165.75 12.24 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.022 -1.071 . . . . 10.0 110.956 177.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.948 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.17 157.47 16.69 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 118.685 0.675 . . . . 10.0 110.625 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.658 ' HB3' HD13 ' A' ' 72' ' ' LEU . 54.8 Cg_endo -78.43 67.51 8.27 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.638 2.225 . . . . 10.0 107.978 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.482 HD21 ' HG3' ' A' ' 49' ' ' LYS . 8.9 mt -48.08 -38.69 18.12 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 112.496 -2.138 . . . . 10.0 115.417 -177.081 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.7 p -87.42 0.08 56.02 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 109.14 -3.664 . . . . 10.0 113.546 -175.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.544 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.78 61.09 57.4 Favored Pre-proline 0 N--CA 1.448 -0.57 0 N-CA-C 105.782 -1.933 . . . . 10.0 105.782 174.881 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.44 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 8.5 Cg_endo -49.26 -51.27 10.96 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.705 2.937 . . . . 10.0 115.237 -174.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.74 -48.23 63.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.22 0.533 . . . . 10.0 109.597 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.508 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . 1.5 tm? -71.25 -30.66 66.59 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.808 -0.812 . . . . 10.0 108.808 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.948 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 19.7 t -63.91 -37.25 86.72 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.505 -1.295 . . . . 10.0 107.505 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -25.92 65.19 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-N 114.879 -1.055 . . . . 10.0 113.597 -176.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.447 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.8 OUTLIER -74.74 -22.63 58.7 Favored 'General case' 0 CA--C 1.494 -1.204 0 C-N-CA 115.995 -2.282 . . . . 10.0 108.434 178.789 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.689 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.8 m0 -57.25 -29.52 63.88 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 105.665 -1.976 . . . . 10.0 105.665 178.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -55.23 -49.33 72.26 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 123.73 1.729 . . . . 10.0 110.067 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -55.66 -35.4 65.94 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 110.401 -3.09 . . . . 10.0 112.29 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.7 -15.8 38.44 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 120.117 -0.633 . . . . 10.0 110.413 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 36' ' ' TRP . 25.7 t -91.88 46.03 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 108.164 -1.05 . . . . 10.0 108.164 174.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.24 13.31 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.095 1.146 . . . . 10.0 114.095 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.43 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -72.66 131.8 42.88 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 122.143 -0.348 . . . . 10.0 110.065 179.494 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -52.69 -54.1 38.27 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.418 0.628 . . . . 10.0 110.208 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.14 67.74 10.29 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 108.314 -0.995 . . . . 10.0 108.314 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.642 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 1.8 t80 -44.85 122.2 3.12 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.272 -0.876 . . . . 10.0 110.75 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.642 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -58.94 -171.1 0.03 OUTLIER Pre-proline 0 CA--C 1.544 0.747 0 CA-C-N 113.975 -1.466 . . . . 10.0 110.731 178.049 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.746 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 94.5 Cg_exo -45.43 176.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 122.55 2.167 . . . . 10.0 112.232 178.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.0 p -83.72 -154.47 0.16 Allowed 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 103.651 -2.722 . . . . 10.0 103.651 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.59 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.75 -2.19 57.82 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 112.493 -2.14 . . . . 10.0 113.858 -174.088 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -77.84 -31.58 51.66 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 105.268 -2.123 . . . . 10.0 105.268 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.746 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 8.9 p -63.21 173.58 1.44 Allowed 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 120.78 1.627 . . . . 10.0 109.215 174.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.644 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.35 164.13 12.76 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 114.854 -1.066 . . . . 10.0 110.695 -178.322 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.644 HD12 ' C ' ' A' ' 52' ' ' SER . 3.0 mp -132.21 157.01 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 107.593 -1.262 . . . . 10.0 107.593 -176.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.524 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 15.2 p -106.64 153.88 21.74 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 119.805 1.184 . . . . 10.0 111.868 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.513 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 2.7 p -47.17 -40.04 15.06 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 118.634 2.827 . . . . 10.0 118.634 -173.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.524 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -55.13 -16.02 2.71 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 114.665 1.357 . . . . 10.0 114.665 -176.085 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.48 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 94.3 m-70 -84.96 -16.5 40.74 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 114.586 1.328 . . . . 10.0 114.586 -177.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.452 ' CE2' ' HA ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -125.4 174.16 8.37 Favored 'General case' 0 CA--C 1.499 -1.006 0 C-N-CA 120.256 -0.578 . . . . 10.0 110.17 -179.007 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.505 ' HB ' ' OD1' ' A' ' 61' ' ' ASP . 0.8 OUTLIER -79.87 139.9 54.05 Favored Pre-proline 0 N--CA 1.424 -1.76 0 N-CA-C 108.723 -0.843 . . . . 10.0 108.723 179.025 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.6 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 6.7 Cg_endo -48.7 -33.17 23.8 Favored 'Trans proline' 0 C--N 1.331 -0.389 0 C-N-CA 123.299 2.666 . . . . 10.0 112.191 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.526 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -58.17 -47.2 84.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.222 -1.354 . . . . 10.0 109.427 177.835 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.566 ' CB ' ' HG2' ' A' ' 73' ' ' LYS . 2.5 t -93.06 4.62 53.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.18 -1.373 . . . . 10.0 114.419 -175.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.6 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -34.47 -55.66 0.53 Allowed 'General case' 0 C--N 1.317 -0.81 0 O-C-N 124.402 1.064 . . . . 10.0 113.87 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.583 ' HG3' ' OE1' ' A' ' 66' ' ' GLU . 15.7 pttp -175.95 -135.39 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.254 0.464 . . . . 10.0 112.254 -178.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.494 ' HG2' ' H ' ' A' ' 65' ' ' ARG . 1.0 OUTLIER -59.73 -14.65 15.26 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -178.321 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.583 ' OE1' ' HG3' ' A' ' 64' ' ' LYS . 24.4 mp0 -84.06 5.55 25.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.916 0.389 . . . . 10.0 110.309 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.808 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 1.7 t -68.72 -103.2 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.96 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.463 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.6 OUTLIER -101.74 -67.91 0.84 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.886 0.374 . . . . 10.0 111.921 -179.115 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -106.26 -70.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -144.32 1.54 1.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.405 0.52 . . . . 10.0 112.405 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.808 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -141.95 -164.96 1.9 Allowed 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 118.417 -0.801 . . . . 10.0 109.626 179.819 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.713 HD12 HD13 ' A' ' 71' ' ' LEU . 3.4 mp -64.54 -174.48 0.13 Allowed 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 122.433 1.111 . . . . 10.0 109.989 -176.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.73 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -88.86 103.87 16.4 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 104.085 -2.561 . . . . 10.0 104.085 171.06 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.544 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -49.28 -5.99 0.02 OUTLIER 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 116.508 2.04 . . . . 10.0 116.508 -177.449 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.8 20.25 18.25 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 121.472 0.653 . . . . 10.0 110.534 175.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -139.88 142.88 36.5 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 123.497 1.618 . . . . 10.0 109.125 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.467 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -149.31 147.46 23.51 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 110.905 -2.861 . . . . 10.0 108.356 -178.107 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.559 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 1.7 Cg_endo -44.23 120.59 2.62 Favored 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 123.885 3.057 . . . . 10.0 108.355 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.41 -11.38 8.34 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 113.662 -1.608 . . . . 10.0 109.281 177.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.471 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.8 OUTLIER -92.49 6.22 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.018 -176.755 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.413 ' HA ' ' ND1' ' A' ' 57' ' ' HIS . 1.4 m-30 -40.7 -50.08 3.08 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.304 0.854 . . . . 10.0 113.304 -178.037 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 O-C-N 123.541 0.525 . . . . 10.0 110.124 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 . . . . . 0 N--CA 1.447 -0.602 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.535 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 1.3 t -177.78 166.35 2.1 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.708 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.459 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 30.9 m -80.48 177.64 8.86 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 123.356 1.551 . . . . 10.0 108.39 -177.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.628 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 16.9 t -81.82 -3.64 54.47 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 110.873 -2.876 . . . . 10.0 110.582 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.34 -149.74 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.521 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -111.05 68.12 0.66 Allowed 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 -178.184 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.08 34.71 13.97 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.696 -0.684 . . . . 10.0 113.66 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.489 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 2.1 t -82.26 76.71 9.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.467 0.633 . . . . 10.0 112.504 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 18.0 mmtt -73.14 59.46 0.54 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 176.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.402 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 1.3 m-80 -93.57 30.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.383 -0.823 . . . . 10.0 112.097 -178.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -22.66 134.56 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.374 0 O-C-N 124.902 1.376 . . . . 10.0 111.631 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.498 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -42.03 113.57 0.45 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-O 121.763 0.792 . . . . 10.0 110.199 -178.332 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.413 ' OD2' ' HB2' ' A' ' 17' ' ' ASP . 25.6 t70 -140.34 107.15 5.38 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 106.096 -1.816 . . . . 10.0 106.096 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -20.3 56.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.64 0.733 . . . . 10.0 111.084 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.413 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -69.9 -22.36 63.23 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.56 -1.2 . . . . 10.0 109.11 179.458 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -101.02 146.16 31.66 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 107.304 -1.369 . . . . 10.0 107.304 177.593 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -88.35 75.48 1.84 Allowed 'Trans proline' 0 N--CA 1.462 -0.335 0 N-CA-C 115.62 1.354 . . . . 10.0 115.62 -177.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.533 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 2.4 m -147.78 149.09 15.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-O 121.528 0.68 . . . . 10.0 112.027 177.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.08 169.36 8.67 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 108.174 -1.047 . . . . 10.0 108.174 177.334 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.498 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -117.79 102.08 8.83 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 117.789 2.514 . . . . 10.0 117.789 -176.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.593 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -106.83 161.15 14.95 Favored 'General case' 0 C--O 1.195 -1.794 0 N-CA-C 115.069 1.507 . . . . 10.0 115.069 -171.11 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 34.2 mtpt -95.91 165.28 12.35 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 119.252 -0.979 . . . . 10.0 111.933 178.294 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.845 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -57.4 158.9 9.74 Favored Pre-proline 0 N--CA 1.47 0.563 0 CA-C-N 118.522 0.601 . . . . 10.0 111.345 179.569 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.689 ' HB3' HD13 ' A' ' 72' ' ' LEU . 57.4 Cg_endo -79.45 67.66 8.53 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.691 2.261 . . . . 10.0 108.617 177.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.538 HD21 ' HG3' ' A' ' 49' ' ' LYS . 12.3 mt -49.53 -38.31 30.21 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 112.623 -2.081 . . . . 10.0 115.361 -177.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.2 p -88.63 1.71 54.53 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 109.594 -3.457 . . . . 10.0 113.107 -175.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.539 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.28 59.22 43.92 Favored Pre-proline 0 N--CA 1.445 -0.724 0 N-CA-C 106.156 -1.794 . . . . 10.0 106.156 175.202 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.576 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.6 Cg_endo -47.68 -55.45 3.96 Favored 'Trans proline' 0 C--O 1.216 -0.584 0 C-N-CA 123.854 3.036 . . . . 10.0 115.974 -174.528 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.8 OUTLIER -53.09 -44.19 67.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.478 0.656 . . . . 10.0 109.776 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.48 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.5 tm? -69.9 -33.28 71.99 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.185 -1.043 . . . . 10.0 108.185 179.376 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.845 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 51.4 t -63.54 -37.03 85.75 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 107.78 -1.193 . . . . 10.0 107.78 179.092 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -67.39 -26.82 66.63 Favored 'General case' 0 N--CA 1.424 -1.738 0 CA-C-N 114.956 -1.02 . . . . 10.0 113.518 -176.817 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -73.88 -23.18 59.55 Favored 'General case' 0 CA--C 1.492 -1.258 0 C-N-CA 116.154 -2.218 . . . . 10.0 108.731 178.899 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.669 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.7 m0 -57.78 -29.5 64.9 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 105.99 -1.856 . . . . 10.0 105.99 178.308 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -55.28 -49.42 72.14 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 123.812 1.768 . . . . 10.0 109.62 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.04 -35.85 62.42 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 110.716 -2.947 . . . . 10.0 112.393 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.65 -16.27 34.89 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.839 -0.745 . . . . 10.0 110.172 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 36' ' ' TRP . 21.4 t -92.43 37.72 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 108.211 -1.033 . . . . 10.0 108.211 174.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.92 12.43 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.873 1.435 . . . . 10.0 114.873 -176.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.463 ' HD3' ' CE1' ' A' ' 8' ' ' TYR . 10.7 tpt180 -71.94 141.06 49.46 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -52.28 -57.25 10.3 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.209 0.528 . . . . 10.0 110.038 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.34 69.07 7.89 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 108.69 -0.855 . . . . 10.0 108.69 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.633 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 5.7 t80 -44.03 126.31 4.84 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.18 -0.918 . . . . 10.0 110.23 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.633 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -62.37 -172.71 0.05 OUTLIER Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 114.648 -1.16 . . . . 10.0 111.472 179.577 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.772 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 86.8 Cg_exo -46.41 176.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 122.453 2.102 . . . . 10.0 112.299 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.422 ' HB ' ' HE3' ' A' ' 49' ' ' LYS . 34.7 p -83.85 -154.2 0.15 Allowed 'General case' 0 CA--C 1.503 -0.846 0 N-CA-C 102.939 -2.986 . . . . 10.0 102.939 172.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -91.52 -3.71 56.24 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 112.357 -2.202 . . . . 10.0 114.129 -174.042 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -77.53 -30.84 53.01 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 105.443 -2.058 . . . . 10.0 105.443 174.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.772 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 8.0 p -64.01 173.31 1.93 Allowed 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 120.441 1.473 . . . . 10.0 109.183 174.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.593 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -111.17 161.52 15.87 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.208 -1.36 . . . . 10.0 110.254 -178.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.593 HD12 ' C ' ' A' ' 52' ' ' SER . 3.2 mp -131.25 158.02 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 N-CA-C 107.43 -1.322 . . . . 10.0 107.43 -176.089 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.526 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 16.7 p -107.14 158.23 17.25 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 120.277 1.398 . . . . 10.0 111.338 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.533 ' OG ' ' HB ' ' A' ' 20' ' ' VAL . 0.3 OUTLIER -52.27 -37.35 55.2 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 119.078 2.992 . . . . 10.0 119.078 -172.812 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.526 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -53.57 -16.03 1.38 Allowed 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 114.43 1.27 . . . . 10.0 114.43 -176.802 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.575 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 92.0 m-70 -87.45 -16.55 34.5 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 114.893 1.442 . . . . 10.0 114.893 -176.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.443 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -138.01 137.76 38.19 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.673 0.67 . . . . 10.0 111.859 -177.636 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 p -43.86 138.33 3.21 Favored Pre-proline 0 N--CA 1.432 -1.366 0 CA-C-N 114.207 -1.361 . . . . 10.0 111.055 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.532 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 8.7 Cg_endo -49.49 -29.13 17.71 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.161 2.574 . . . . 10.0 112.509 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.455 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 9.0 m-20 -61.41 -48.56 80.64 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 113.717 -1.583 . . . . 10.0 107.503 175.056 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.614 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -91.51 6.68 44.65 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 113.786 1.032 . . . . 10.0 113.786 -174.671 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.532 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -39.15 -57.85 1.25 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 114.223 1.194 . . . . 10.0 114.223 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 67' ' ' SER . 13.9 pttt -175.86 -140.51 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 117.881 0.309 . . . . 10.0 111.534 -177.109 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.27 -12.08 12.06 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.354 0.501 . . . . 10.0 112.354 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.98 6.27 25.8 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.6 -0.519 . . . . 10.0 109.6 178.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.733 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 1.4 t -70.7 -108.35 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.176 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.481 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -102.65 -63.36 1.17 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -178.791 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -102.51 -73.67 0.65 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -178.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -147.25 1.39 0.73 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.746 0.308 . . . . 10.0 111.478 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.795 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -143.95 -164.43 1.88 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 118.568 -0.729 . . . . 10.0 109.131 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.795 HD12 HD13 ' A' ' 71' ' ' LEU . 3.1 mp -64.07 -172.56 0.07 Allowed 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 122.748 1.261 . . . . 10.0 110.045 -176.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.619 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 3.1 mmmm -88.57 105.25 17.52 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 103.703 -2.703 . . . . 10.0 103.703 170.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.539 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 11.2 pm0 -50.39 -5.17 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 115.747 1.758 . . . . 10.0 115.747 -178.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -110.28 16.93 21.39 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.819 175.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.449 ' HB3' ' OG ' ' A' ' 62' ' ' SER . . . -141.33 143.26 33.93 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 123.747 1.737 . . . . 10.0 110.042 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.495 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -146.14 151.24 44.16 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 110.636 -2.983 . . . . 10.0 108.298 -177.377 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.575 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 2.0 Cg_endo -46.2 118.86 2.65 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.225 2.617 . . . . 10.0 107.754 176.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.48 -10.34 8.42 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 113.834 -1.53 . . . . 10.0 109.123 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.421 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -93.09 6.65 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 115.493 -0.776 . . . . 10.0 111.179 -177.178 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.413 ' HD1' ' ND1' ' A' ' 57' ' ' HIS . 1.5 m-30 -39.8 -48.92 2.31 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.014 1.116 . . . . 10.0 114.014 -177.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.521 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 N-CA-C 110.282 -0.266 . . . . 10.0 110.282 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 . . . . . 0 N--CA 1.444 -0.756 0 N-CA-C 108.976 -0.75 . . . . 10.0 108.976 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.492 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 2.6 t 179.33 171.4 0.94 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 123.551 0.532 . . . . 10.0 110.654 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.39 168.38 16.64 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 107.594 -1.262 . . . . 10.0 107.594 -176.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.641 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 9.2 t -74.16 -0.32 16.34 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 112.461 -2.154 . . . . 10.0 111.682 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.416 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . . . -59.68 -147.42 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.448 0.907 . . . . 10.0 113.448 178.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.482 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 0.7 OUTLIER -112.43 70.72 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.697 -0.627 . . . . 10.0 109.406 -178.408 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.71 33.96 26.17 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.315 -0.945 . . . . 10.0 114.053 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.539 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 18.9 t -85.0 73.5 10.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.228 0.514 . . . . 10.0 111.75 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.492 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 6.9 mmtp -69.22 60.68 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 177.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -92.95 30.81 1.52 Allowed 'General case' 0 C--N 1.317 -0.805 0 O-C-N 121.352 -0.843 . . . . 10.0 111.536 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -23.58 133.67 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 O-C-N 125.253 1.595 . . . . 10.0 110.804 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -37.59 110.29 0.12 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.985 0.897 . . . . 10.0 111.318 -177.119 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.599 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 3.1 t0 -134.6 111.67 10.23 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 106.42 -1.696 . . . . 10.0 106.42 178.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -64.12 -16.64 62.25 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.122 -0.944 . . . . 10.0 111.829 -179.404 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.599 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -76.43 -23.78 53.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.248 -0.887 . . . . 10.0 108.677 179.633 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.533 ' HZ2' ' HB3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -100.69 145.45 30.37 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 107.9 -1.148 . . . . 10.0 107.9 178.799 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -90.23 76.23 0.96 Allowed 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 121.717 1.611 . . . . 10.0 116.266 -176.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.439 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 2.7 m -145.87 146.12 19.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-O 121.364 0.602 . . . . 10.0 111.26 178.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 p -104.64 168.6 8.97 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.072 -1.084 . . . . 10.0 108.072 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -120.73 101.46 7.74 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 117.397 2.369 . . . . 10.0 117.397 -176.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.611 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -107.38 162.67 13.7 Favored 'General case' 0 C--O 1.195 -1.775 0 N-CA-C 114.987 1.477 . . . . 10.0 114.987 -170.193 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 15.2 mtpt -95.05 165.47 12.41 Favored 'General case' 0 C--N 1.311 -1.068 0 C-N-CA 119.419 -0.912 . . . . 10.0 111.727 178.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.926 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -59.05 158.18 18.52 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 118.666 0.666 . . . . 10.0 110.323 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.658 ' HB3' HD13 ' A' ' 72' ' ' LEU . 49.3 Cg_endo -79.52 68.33 8.32 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.472 2.115 . . . . 10.0 108.409 177.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.1 mt -49.95 -36.06 26.47 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 112.99 -1.914 . . . . 10.0 115.109 -176.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.0 p -88.76 1.62 54.89 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 109.673 -3.421 . . . . 10.0 113.2 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.51 57.61 32.6 Favored Pre-proline 0 N--CA 1.447 -0.592 0 N-CA-C 106.145 -1.798 . . . . 10.0 106.145 174.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.523 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 4.5 Cg_endo -46.7 -56.1 3.26 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 123.844 3.03 . . . . 10.0 115.627 -175.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -47.37 57.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.279 0.561 . . . . 10.0 109.654 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.479 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.8 tm? -69.92 -33.15 71.78 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.428 -0.953 . . . . 10.0 108.428 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.926 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 49.4 t -63.29 -36.53 83.99 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 107.149 -1.426 . . . . 10.0 107.149 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -68.83 -24.08 64.33 Favored 'General case' 0 N--CA 1.427 -1.6 0 N-CA-C 113.726 1.01 . . . . 10.0 113.726 -176.126 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -75.18 -21.84 58.46 Favored 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 115.888 -2.325 . . . . 10.0 108.317 178.844 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.639 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.4 m0 -59.2 -26.23 64.66 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 106.21 -1.774 . . . . 10.0 106.21 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -55.82 -48.16 75.94 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 123.712 1.72 . . . . 10.0 109.33 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -53.49 -35.24 60.38 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 110.596 -3.002 . . . . 10.0 112.024 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.05 -16.55 31.32 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 119.841 -0.744 . . . . 10.0 110.197 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 36' ' ' TRP . 24.4 t -92.41 25.59 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 122.338 1.066 . . . . 10.0 108.471 175.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -56.95 13.67 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.748 1.388 . . . . 10.0 114.748 -177.747 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.483 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -76.59 145.56 38.86 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 122.2 -0.312 . . . . 10.0 110.277 -179.408 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -51.94 -54.79 25.46 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.83 68.15 9.83 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.449 -0.796 . . . . 10.0 109.265 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.648 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 2.5 t80 -49.46 122.83 6.66 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.39 -0.823 . . . . 10.0 108.844 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.648 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -61.86 -172.05 0.05 OUTLIER Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 114.837 -1.074 . . . . 10.0 110.826 179.209 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.742 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 81.0 Cg_exo -47.05 176.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 121.955 1.77 . . . . 10.0 112.054 178.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.7 p -82.19 -153.54 0.11 Allowed 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 103.354 -2.832 . . . . 10.0 103.354 172.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.568 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.0 -3.51 57.95 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 112.027 -2.351 . . . . 10.0 114.052 -173.408 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -78.25 -30.51 48.67 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 105.68 -1.97 . . . . 10.0 105.68 174.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.742 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 10.7 p -62.95 173.0 1.49 Allowed 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 120.675 1.579 . . . . 10.0 109.596 174.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.643 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -109.6 159.43 17.11 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.271 -1.332 . . . . 10.0 109.764 -179.791 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.643 HD12 ' C ' ' A' ' 52' ' ' SER . 2.7 mp -129.78 158.24 42.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 114.219 -1.355 . . . . 10.0 107.722 -175.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.557 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 15.2 p -105.84 157.43 17.47 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 119.988 1.267 . . . . 10.0 111.827 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.497 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 2.1 p -53.36 -41.15 65.56 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 118.85 2.908 . . . . 10.0 118.85 -173.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.557 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -54.14 -14.41 1.1 Allowed 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 114.607 1.336 . . . . 10.0 114.607 -176.282 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.524 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 82.7 m-70 -85.43 -17.05 37.74 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 114.643 1.349 . . . . 10.0 114.643 -177.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.405 ' CE2' ' HA ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -125.18 174.69 7.91 Favored 'General case' 0 CA--C 1.502 -0.88 0 CA-C-N 118.412 0.551 . . . . 10.0 109.974 -178.441 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.11 140.1 42.59 Favored Pre-proline 0 N--CA 1.432 -1.325 0 N-CA-C 108.69 -0.855 . . . . 10.0 108.69 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.584 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.1 Cg_endo -49.75 -30.89 24.08 Favored 'Trans proline' 0 C--N 1.33 -0.433 0 C-N-CA 123.359 2.706 . . . . 10.0 113.015 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.05 -46.23 88.77 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.321 -1.308 . . . . 10.0 109.099 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.44 ' OG ' ' HB2' ' A' ' 73' ' ' LYS . 1.9 t -94.4 3.73 54.8 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 113.967 -1.469 . . . . 10.0 114.055 -175.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.584 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -36.81 -55.03 0.91 Allowed 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 -178.817 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.484 ' HB2' ' H ' ' A' ' 65' ' ' ARG . 31.3 pttt -173.66 -145.3 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.617 0.644 . . . . 10.0 112.539 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.484 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 3.0 ptm180 -54.72 -19.63 6.65 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.434 0.902 . . . . 10.0 113.434 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -80.55 5.53 15.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.016 0.436 . . . . 10.0 110.091 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.806 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.6 t -68.62 -101.66 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.632 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.42 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.5 OUTLIER -101.0 -68.66 0.8 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.872 0.367 . . . . 10.0 111.904 -178.483 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -109.41 -67.75 0.96 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.621 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -144.63 0.35 0.98 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.215 -0.594 . . . . 10.0 112.512 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.813 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -140.53 -164.59 1.75 Allowed 'General case' 0 C--O 1.214 -0.782 0 CA-C-O 118.622 -0.704 . . . . 10.0 110.426 -179.143 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.813 HD12 HD13 ' A' ' 71' ' ' LEU . 3.8 mp -64.33 -168.79 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 123.779 1.752 . . . . 10.0 110.922 -176.035 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.642 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -87.87 100.91 13.23 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 103.446 -2.798 . . . . 10.0 103.446 170.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.479 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -51.63 -7.99 0.05 Allowed 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 115.131 1.53 . . . . 10.0 115.131 -178.742 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -109.36 16.97 21.97 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.602 -0.726 . . . . 10.0 111.047 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.444 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -139.51 142.98 37.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 123.837 1.78 . . . . 10.0 109.418 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.49 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -144.48 149.15 43.1 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 110.254 -3.157 . . . . 10.0 108.853 -178.254 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.531 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 1.2 Cg_endo -46.94 118.99 3.04 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.54 2.827 . . . . 10.0 107.984 177.196 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.7 t -124.23 -10.95 7.53 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.123 -1.399 . . . . 10.0 109.57 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.416 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.9 OUTLIER -91.19 6.26 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.086 -0.961 . . . . 10.0 110.64 -177.279 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.531 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 2.0 m-30 -39.42 -52.79 2.07 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.046 1.128 . . . . 10.0 114.046 -178.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.482 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 -179.111 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.605 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 2.7 t -178.14 166.83 1.98 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 123.419 0.449 . . . . 10.0 111.562 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.414 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 2.7 m -80.75 165.29 22.06 Favored 'General case' 0 C--N 1.339 0.121 0 N-CA-C 107.844 -1.169 . . . . 10.0 107.844 -177.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.65 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 8.0 t -74.92 0.06 16.97 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 112.908 -1.951 . . . . 10.0 110.656 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.89 -149.32 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 113.972 1.101 . . . . 10.0 113.972 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.455 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -110.41 68.03 0.66 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.833 -0.622 . . . . 10.0 109.36 -178.236 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.69 33.21 25.28 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.54 -0.838 . . . . 10.0 113.291 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.517 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 14.6 t -88.13 75.98 8.58 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 117.567 0.684 . . . . 10.0 112.246 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.605 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 11.5 mtpt -72.69 63.99 0.63 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.336 -0.986 . . . . 10.0 108.336 176.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -92.07 32.17 1.18 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 119.296 0.953 . . . . 10.0 112.918 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -24.36 137.65 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 O-C-N 124.711 1.257 . . . . 10.0 112.026 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.472 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -43.19 109.42 0.14 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.45 0.643 . . . . 10.0 110.956 -178.18 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.542 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 17.8 t0 -134.49 117.45 16.24 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 105.542 -2.021 . . . . 10.0 105.542 177.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.96 -16.88 61.07 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.366 -0.834 . . . . 10.0 111.505 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.514 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . 96.4 m-20 -74.5 -24.24 58.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.17 -0.923 . . . . 10.0 109.687 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -100.7 140.96 21.78 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 108.335 -0.987 . . . . 10.0 108.335 179.221 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -86.71 75.63 2.63 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 121.463 1.442 . . . . 10.0 114.754 -177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.504 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 1.6 m -146.28 148.21 17.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-O 121.252 0.549 . . . . 10.0 111.213 178.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.4 169.1 8.78 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 108.034 -1.098 . . . . 10.0 108.034 177.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.472 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 1.9 m-85 -117.8 103.75 10.29 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 116.983 2.216 . . . . 10.0 116.983 -177.044 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.604 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -106.36 159.17 16.34 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 114.796 1.406 . . . . 10.0 114.796 -171.337 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -94.31 163.59 13.37 Favored 'General case' 0 C--N 1.309 -1.161 0 C-N-CA 119.124 -1.03 . . . . 10.0 111.122 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.875 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.5 m-85 -58.05 157.3 16.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 118.642 0.655 . . . . 10.0 111.092 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.689 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 91.7 Cg_endo -77.23 68.45 7.43 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.904 2.403 . . . . 10.0 109.484 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.623 HD21 ' HG3' ' A' ' 49' ' ' LYS . 12.6 mt -50.38 -35.25 27.31 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 112.778 -2.01 . . . . 10.0 115.257 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.0 p -90.31 0.09 57.4 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 109.896 -3.32 . . . . 10.0 113.328 -176.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.522 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -131.45 59.13 43.29 Favored Pre-proline 0 N--CA 1.444 -0.742 0 N-CA-C 106.118 -1.808 . . . . 10.0 106.118 175.404 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.501 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.4 Cg_endo -46.58 -53.14 6.44 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.814 3.009 . . . . 10.0 115.191 -175.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.4 m -52.15 -46.07 65.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.966 0.412 . . . . 10.0 109.939 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.48 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . 1.4 tm? -71.37 -32.64 68.73 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.196 -1.038 . . . . 10.0 108.196 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.875 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 49.9 t -62.96 -37.12 85.83 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.267 -1.382 . . . . 10.0 107.267 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -24.83 64.93 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 113.742 1.016 . . . . 10.0 113.742 -176.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -76.12 -22.25 55.72 Favored 'General case' 0 CA--C 1.497 -1.081 0 C-N-CA 116.448 -2.101 . . . . 10.0 108.95 179.477 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.673 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.2 m0 -58.39 -27.63 64.43 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 105.934 -1.876 . . . . 10.0 105.934 177.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -55.38 -48.12 74.79 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 123.632 1.682 . . . . 10.0 109.657 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -53.96 -34.72 60.5 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 110.677 -2.965 . . . . 10.0 112.63 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.422 ' O ' ' HD2' ' A' ' 81' ' ' PHE . . . -88.48 -15.99 33.9 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 120.311 -0.556 . . . . 10.0 111.206 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 36' ' ' TRP . 20.0 t -90.28 45.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 107.215 -1.402 . . . . 10.0 107.215 175.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.31 13.11 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.107 -1.406 . . . . 10.0 114.007 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -78.33 144.31 36.16 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -56.92 -56.38 22.36 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.274 0.559 . . . . 10.0 109.683 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.13 68.33 6.23 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.078 -0.965 . . . . 10.0 108.758 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.641 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 4.5 t80 -46.59 124.45 5.98 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.283 -0.871 . . . . 10.0 109.326 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.65 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.7 OUTLIER -62.63 -172.92 0.06 OUTLIER Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 114.632 -1.167 . . . . 10.0 111.262 179.605 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.774 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 82.7 Cg_exo -46.13 176.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.336 2.024 . . . . 10.0 112.832 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.6 p -82.49 -153.83 0.12 Allowed 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 103.253 -2.869 . . . . 10.0 103.253 172.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.623 ' HG3' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -90.33 -3.55 57.68 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 111.875 -2.42 . . . . 10.0 114.161 -173.756 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -78.16 -30.8 49.34 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 105.29 -2.115 . . . . 10.0 105.29 174.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.774 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 12.8 p -64.39 173.09 2.2 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 117.767 -1.573 . . . . 10.0 109.082 174.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.613 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -110.18 162.84 14.2 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.772 -1.103 . . . . 10.0 110.165 -178.171 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.613 HD12 ' C ' ' A' ' 52' ' ' SER . 3.3 mp -130.77 158.46 43.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 107.805 -1.183 . . . . 10.0 107.805 -176.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.54 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 13.9 p -106.33 156.77 18.17 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 119.927 1.24 . . . . 10.0 111.607 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.565 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 1.8 p -54.7 -37.12 65.43 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 118.972 2.952 . . . . 10.0 118.972 -172.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.54 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -55.29 -15.34 2.37 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 114.068 1.136 . . . . 10.0 114.068 -176.862 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.596 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 88.4 m-70 -86.25 -16.91 36.16 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 114.532 1.308 . . . . 10.0 114.532 -177.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.479 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -137.27 136.25 37.89 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 118.229 0.468 . . . . 10.0 110.891 -178.666 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.2 p -41.49 136.59 1.85 Allowed Pre-proline 0 N--CA 1.431 -1.39 0 O-C-N 124.795 1.31 . . . . 10.0 111.17 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.584 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.0 Cg_endo -49.49 -29.35 18.28 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.86 2.373 . . . . 10.0 111.887 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.616 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 3.4 m-20 -59.2 -49.71 76.81 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 113.724 -1.58 . . . . 10.0 107.653 174.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.669 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -89.72 6.08 43.08 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 114.219 1.192 . . . . 10.0 114.219 -174.376 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.584 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 1.1 m-30 -39.84 -56.9 1.68 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 114.624 1.342 . . . . 10.0 114.624 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -174.94 -143.61 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.329 0.513 . . . . 10.0 112.168 -177.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.45 -14.34 2.96 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.977 0.732 . . . . 10.0 112.977 -179.179 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -81.85 6.25 16.28 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.835 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.4 t -72.03 -110.68 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.089 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.467 ' N ' ' OG ' ' A' ' 67' ' ' SER . 1.0 OUTLIER -101.23 -65.38 0.98 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.717 0.636 . . . . 10.0 112.717 -178.411 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -104.25 -70.49 0.77 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.025 0.75 . . . . 10.0 113.025 -177.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -144.71 -6.0 0.71 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.392 -0.523 . . . . 10.0 112.175 -177.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.993 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -140.08 -159.32 0.94 Allowed 'General case' 0 C--O 1.214 -0.813 0 CA-C-O 118.325 -0.845 . . . . 10.0 110.002 -179.059 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.993 HD12 HD13 ' A' ' 71' ' ' LEU . 1.4 mp -64.63 -171.29 0.06 Allowed 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 122.425 1.107 . . . . 10.0 110.19 -176.411 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.67 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 4.4 mmmm -87.9 100.21 12.71 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 103.307 -2.849 . . . . 10.0 103.307 170.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.522 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 1.8 pm0 -48.78 -7.06 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 116.722 2.119 . . . . 10.0 116.722 -176.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -107.26 19.53 20.22 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.368 0.604 . . . . 10.0 110.57 175.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.428 ' HB3' ' OG ' ' A' ' 62' ' ' SER . . . -142.51 142.6 32.27 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 123.424 1.583 . . . . 10.0 109.508 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.539 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -145.42 150.69 45.13 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 110.985 -2.825 . . . . 10.0 108.361 -177.831 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.596 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 1.3 Cg_endo -46.74 119.64 3.44 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 123.403 2.735 . . . . 10.0 107.677 177.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 t -124.67 -11.29 7.28 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 113.747 -1.569 . . . . 10.0 109.497 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.451 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -91.74 6.9 5.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.8 -176.133 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.441 ' HA ' ' ND1' ' A' ' 57' ' ' HIS . 2.2 m-30 -39.45 -48.39 1.96 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.765 1.024 . . . . 10.0 113.765 -177.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.455 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 N-CA-C 110.216 -0.29 . . . . 10.0 110.216 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 . . . . . 0 C--O 1.235 0.291 0 N-CA-C 107.807 -1.183 . . . . 10.0 107.807 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.514 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 1.6 t 179.73 168.57 1.18 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.421 -1.263 . . . . 10.0 109.113 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.431 ' C ' ' H ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -77.8 170.93 15.75 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 123.414 1.578 . . . . 10.0 107.855 -175.156 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.602 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 1.2 m -78.44 16.28 0.84 Allowed 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 110.679 -2.964 . . . . 10.0 109.435 178.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.431 ' H ' ' C ' ' A' ' 5' ' ' CYS . . . -80.65 -146.39 0.05 Allowed 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 114.611 -1.177 . . . . 10.0 108.941 -177.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.409 ' CE1' ' HG2' ' A' ' 42' ' ' ARG . 2.9 t80 -123.15 80.12 1.74 Allowed 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.437 0.637 . . . . 10.0 109.981 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.13 23.08 50.19 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.364 -0.835 . . . . 10.0 114.413 177.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.544 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 26.5 t -85.74 73.94 10.31 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 111.911 0.337 . . . . 10.0 111.911 -179.123 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.514 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 17.1 mmtp -72.57 64.09 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.664 -1.236 . . . . 10.0 107.664 176.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.464 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 4.9 m-20 -94.51 29.84 2.16 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 121.939 -0.476 . . . . 10.0 111.544 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -24.2 134.63 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.204 0 O-C-N 125.124 1.515 . . . . 10.0 111.588 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -40.23 109.57 0.12 Allowed 'General case' 0 C--N 1.346 0.422 0 O-C-N 123.809 0.693 . . . . 10.0 111.852 -177.314 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 42.7 t0 -134.19 108.85 8.51 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 104.853 -2.277 . . . . 10.0 104.853 177.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.461 ' HD3' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -57.28 -15.6 6.53 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 113.999 -1.455 . . . . 10.0 111.631 179.218 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.4 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 8.9 m-20 -72.73 -24.39 60.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.061 -0.972 . . . . 10.0 109.248 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -106.14 149.23 37.9 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 114.946 -1.025 . . . . 10.0 108.251 179.416 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -90.53 75.74 0.89 Allowed 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 121.373 1.382 . . . . 10.0 115.622 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.59 143.53 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 121.76 0.791 . . . . 10.0 111.764 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 p -105.58 166.69 10.27 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 114.886 -1.052 . . . . 10.0 108.619 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -121.03 101.27 7.56 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 117.985 2.587 . . . . 10.0 117.985 -177.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.669 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.72 164.82 11.91 Favored 'General case' 0 C--O 1.195 -1.816 0 N-CA-C 115.196 1.554 . . . . 10.0 115.196 -170.4 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 23.5 mtpt -96.21 165.03 12.42 Favored 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 119.078 -1.049 . . . . 10.0 111.513 177.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.826 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.5 m-85 -58.76 158.17 17.05 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 118.58 0.627 . . . . 10.0 110.698 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.666 ' HB3' HD13 ' A' ' 72' ' ' LEU . 41.2 Cg_endo -79.72 68.03 8.42 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.826 2.351 . . . . 10.0 108.719 177.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.695 HD21 ' HG3' ' A' ' 49' ' ' LYS . 9.1 mt -49.37 -38.42 28.48 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 112.401 -2.181 . . . . 10.0 115.506 -176.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 p -88.41 2.49 52.57 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 110.07 -3.241 . . . . 10.0 113.029 -175.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.431 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.29 59.58 46.41 Favored Pre-proline 0 N--CA 1.448 -0.546 0 N-CA-C 105.528 -2.026 . . . . 10.0 105.528 174.854 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.478 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 7.5 Cg_endo -47.41 -56.44 3.06 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.991 3.127 . . . . 10.0 116.412 -174.245 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.75 -44.23 63.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 118.569 0.622 . . . . 10.0 109.773 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.415 HD21 ' O ' ' A' ' 76' ' ' ALA . 1.8 tm? -70.39 -33.73 71.74 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.92 -1.037 . . . . 10.0 108.45 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.826 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 24.6 t -63.08 -37.57 87.73 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 106.943 -1.503 . . . . 10.0 106.943 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -26.06 65.44 Favored 'General case' 0 N--CA 1.434 -1.25 0 N-CA-C 113.48 0.919 . . . . 10.0 113.48 -176.602 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.481 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -73.63 -23.14 59.85 Favored 'General case' 0 CA--C 1.498 -1.041 0 C-N-CA 115.789 -2.364 . . . . 10.0 108.582 179.282 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.68 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.1 m0 -57.58 -30.78 65.56 Favored 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 106.267 -1.753 . . . . 10.0 106.267 178.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -54.25 -49.0 70.53 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 123.946 1.832 . . . . 10.0 109.879 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -55.28 -35.83 65.46 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 110.192 -3.186 . . . . 10.0 112.468 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.38 -13.3 49.84 Favored 'General case' 0 C--N 1.312 -1.046 0 C-N-CA 120.422 -0.511 . . . . 10.0 110.976 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 36' ' ' TRP . 12.5 t -91.83 37.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 122.53 1.157 . . . . 10.0 108.015 173.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.3 13.82 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.872 1.804 . . . . 10.0 115.872 -177.12 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.437 ' HA ' ' HD2' ' A' ' 42' ' ' ARG . 3.5 tpt180 -97.57 148.47 23.24 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 121.274 -0.891 . . . . 10.0 111.729 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.9 tttm -52.38 -44.58 65.37 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.136 0.493 . . . . 10.0 110.042 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -82.36 64.14 6.88 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.378 -0.828 . . . . 10.0 110.579 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.482 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 15.5 t80 -57.09 118.65 5.23 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.2 -1.037 . . . . 10.0 108.2 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.602 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -60.98 -172.32 0.04 OUTLIER Pre-proline 0 C--O 1.215 -0.735 0 CA-C-N 115.037 -0.983 . . . . 10.0 111.086 179.678 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.784 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 74.7 Cg_exo -44.78 177.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 122.823 2.349 . . . . 10.0 112.705 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.5 p -82.12 -155.12 0.13 Allowed 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 102.649 -3.093 . . . . 10.0 102.649 172.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.695 ' HG3' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -90.46 0.0 57.48 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 112.627 -2.079 . . . . 10.0 114.107 -173.77 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -79.17 -32.65 44.26 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 105.664 -1.976 . . . . 10.0 105.664 173.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.784 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 14.4 p -61.66 172.58 1.2 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 120.571 1.532 . . . . 10.0 109.391 175.217 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.648 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -109.55 159.58 16.96 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.377 -1.283 . . . . 10.0 110.223 -178.665 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.648 HD12 ' C ' ' A' ' 52' ' ' SER . 2.8 mp -129.68 158.54 42.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 N-CA-C 107.541 -1.281 . . . . 10.0 107.541 -176.41 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.578 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 16.9 p -106.5 155.82 19.2 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.957 1.253 . . . . 10.0 112.214 178.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.693 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 13.2 p -49.74 -42.34 45.95 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 118.311 2.708 . . . . 10.0 118.311 -173.282 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.578 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -56.06 -14.7 2.79 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 114.556 1.317 . . . . 10.0 114.556 -176.025 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.467 ' HA ' ' HB ' ' A' ' 80' ' ' ILE . 85.9 m-70 -83.74 -17.18 42.11 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 114.178 1.177 . . . . 10.0 114.178 -177.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.558 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -125.18 174.74 7.87 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 108.986 -0.746 . . . . 10.0 108.986 -179.589 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.19 140.63 49.34 Favored Pre-proline 0 N--CA 1.425 -1.677 0 N-CA-C 107.885 -1.154 . . . . 10.0 107.885 178.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.556 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 8.3 Cg_endo -48.47 -29.93 14.72 Favored 'Trans proline' 0 C--N 1.33 -0.43 0 C-N-CA 123.48 2.786 . . . . 10.0 112.395 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.565 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 1.7 m-20 -57.48 -49.56 75.89 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.939 -1.482 . . . . 10.0 109.305 177.263 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.558 ' CB ' ' HG2' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -92.77 4.87 52.99 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 114.235 -1.348 . . . . 10.0 113.519 -174.491 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.693 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 0.4 OUTLIER -35.33 -54.6 0.65 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 114.137 1.162 . . . . 10.0 114.137 179.666 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.411 ' HG3' ' OE1' ' A' ' 66' ' ' GLU . 10.9 pttp -176.71 -138.32 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 118.512 0.596 . . . . 10.0 112.435 -178.282 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.41 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 3.4 ptm180 -63.25 -14.18 46.44 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.628 0.603 . . . . 10.0 112.628 -177.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.411 ' OE1' ' HG3' ' A' ' 64' ' ' LYS . 4.4 mp0 -86.38 6.7 28.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.937 0.399 . . . . 10.0 109.957 178.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.784 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.3 t -66.73 -101.86 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.359 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -101.66 -69.55 0.78 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.693 0.282 . . . . 10.0 111.264 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -102.5 -70.74 0.74 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.678 -0.409 . . . . 10.0 111.831 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.98 2.98 0.92 Allowed 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.397 0.517 . . . . 10.0 112.397 -179.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.784 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -144.23 -167.04 2.52 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-O 118.467 -0.778 . . . . 10.0 109.352 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.704 HD12 HD13 ' A' ' 71' ' ' LEU . 3.9 mp -63.78 -173.95 0.09 Allowed 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 122.67 1.224 . . . . 10.0 110.271 -175.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.633 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -88.46 106.03 18.0 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 104.008 -2.59 . . . . 10.0 104.008 170.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.431 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -49.81 -7.09 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 116.316 1.969 . . . . 10.0 116.316 -177.846 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -108.71 16.05 23.16 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.979 176.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.415 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -137.87 143.72 41.04 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 123.589 1.662 . . . . 10.0 109.925 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.415 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -147.11 148.77 33.24 Favored Pre-proline 0 CA--C 1.538 0.518 0 CA-C-N 110.674 -2.966 . . . . 10.0 108.719 -177.499 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.561 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 1.6 Cg_endo -44.96 120.65 3.04 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 123.595 2.863 . . . . 10.0 108.148 177.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t -123.97 -10.27 7.69 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 113.75 -1.568 . . . . 10.0 109.774 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.467 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.9 OUTLIER -94.61 6.74 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.642 -176.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.458 ' HA ' ' ND1' ' A' ' 57' ' ' HIS . 1.8 m-30 -40.05 -50.41 2.58 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.731 1.011 . . . . 10.0 113.731 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.605 0.24 . . . . 10.0 110.578 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 . . . . . 0 N--CA 1.447 -0.612 0 CA-C-O 119.511 -0.28 . . . . 10.0 110.4 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.616 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 176.08 171.56 0.39 Allowed 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.37 0.419 . . . . 10.0 111.207 178.536 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.05 163.66 24.02 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 107.096 -1.446 . . . . 10.0 107.096 -177.384 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.576 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 7.5 t -71.93 2.31 5.8 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 113.412 -1.722 . . . . 10.0 111.709 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.84 -150.54 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.885 0.85 . . . . 10.0 112.625 178.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.606 ' CE1' ' HD3' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -114.42 73.65 0.84 Allowed 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 121.239 -0.913 . . . . 10.0 109.381 -178.429 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.52 21.73 53.05 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.537 -0.839 . . . . 10.0 114.485 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.499 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 36.6 t -80.84 75.24 7.78 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 117.636 0.718 . . . . 10.0 112.145 -179.307 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.616 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 17.5 mttt -72.17 65.33 0.58 Allowed 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.558 -0.904 . . . . 10.0 108.558 176.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -88.27 31.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.129 -0.357 . . . . 10.0 111.459 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -24.9 134.06 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 O-C-N 124.526 1.141 . . . . 10.0 111.706 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.53 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -44.35 111.05 0.26 Allowed 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.962 0.886 . . . . 10.0 111.378 -178.368 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.448 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 51.5 t0 -136.59 109.7 7.75 Favored 'General case' 0 N--CA 1.435 -1.206 0 CA-C-N 113.282 -1.781 . . . . 10.0 106.239 177.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -15.98 38.96 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.703 0.763 . . . . 10.0 111.09 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.448 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -72.86 -24.66 60.9 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 114.707 -1.133 . . . . 10.0 109.248 179.361 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -103.11 147.38 34.04 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 114.578 -1.192 . . . . 10.0 108.373 178.718 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -91.46 75.92 0.62 Allowed 'Trans proline' 0 CA--C 1.533 0.461 0 N-CA-C 116.48 1.685 . . . . 10.0 116.48 -177.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 m -143.98 145.89 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.38 0.61 . . . . 10.0 111.409 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 p -105.36 166.63 10.29 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.337 -0.847 . . . . 10.0 108.725 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.53 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -116.42 102.22 9.33 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 117.189 2.292 . . . . 10.0 117.189 -176.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.61 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -107.29 161.24 14.97 Favored 'General case' 0 C--O 1.2 -1.543 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 -171.063 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -94.81 163.16 13.46 Favored 'General case' 0 C--N 1.312 -1.064 0 C-N-CA 119.356 -0.938 . . . . 10.0 110.972 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.856 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.1 m-85 -58.48 158.1 16.11 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 118.323 0.51 . . . . 10.0 111.162 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.651 ' HB3' HD13 ' A' ' 72' ' ' LEU . 59.7 Cg_endo -78.21 67.05 8.28 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.057 2.505 . . . . 10.0 108.933 178.351 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.487 HD21 ' HG3' ' A' ' 49' ' ' LYS . 16.3 mt -49.23 -39.04 28.53 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 112.133 -2.303 . . . . 10.0 115.908 -176.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 p -89.53 2.49 54.53 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 110.242 -3.163 . . . . 10.0 112.937 -175.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.478 ' HD3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -131.63 58.61 39.18 Favored Pre-proline 0 N--CA 1.447 -0.615 0 N-CA-C 105.517 -2.031 . . . . 10.0 105.517 174.341 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.401 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 9.5 Cg_endo -48.5 -50.54 12.08 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.886 3.058 . . . . 10.0 115.729 -174.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -47.6 63.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.478 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . 1.2 tm? -69.76 -34.02 73.21 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.394 -0.965 . . . . 10.0 108.394 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.856 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 8.8 t -62.69 -37.06 84.98 Favored 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 107.742 -1.207 . . . . 10.0 107.742 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -69.36 -23.91 63.82 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 -176.316 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.477 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -75.73 -22.57 56.43 Favored 'General case' 0 CA--C 1.491 -1.319 0 C-N-CA 116.434 -2.106 . . . . 10.0 108.638 179.21 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.692 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.3 m0 -58.83 -26.81 64.51 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 105.265 -2.124 . . . . 10.0 105.265 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -55.23 -48.87 73.28 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-O 123.807 1.765 . . . . 10.0 109.866 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -55.82 -32.44 63.57 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 110.425 -3.08 . . . . 10.0 112.785 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.407 ' O ' ' HD2' ' A' ' 81' ' ' PHE . . . -87.84 -16.97 32.57 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 120.397 -0.521 . . . . 10.0 110.747 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 36' ' ' TRP . 16.2 t -91.85 34.79 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 N-CA-C 107.659 -1.237 . . . . 10.0 107.659 174.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.3 12.6 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.303 1.594 . . . . 10.0 115.303 -176.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.606 ' HD3' ' CE1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -80.09 145.95 32.15 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.888 -0.508 . . . . 10.0 109.798 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.4 tttt -53.69 -54.38 38.69 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.535 0.683 . . . . 10.0 109.797 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.456 ' OD1' ' HG3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -82.82 66.28 8.36 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 115.291 -0.868 . . . . 10.0 108.957 179.176 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.623 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -50.25 120.87 4.88 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.65 -0.87 . . . . 10.0 108.65 178.342 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.623 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -58.63 -172.77 0.04 OUTLIER Pre-proline 0 C--O 1.22 -0.484 0 C-N-CA 124.464 1.105 . . . . 10.0 111.282 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.747 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 94.4 Cg_exo -44.74 175.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.967 1.778 . . . . 10.0 112.383 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.3 p -83.58 -153.35 0.13 Allowed 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 103.598 -2.742 . . . . 10.0 103.598 172.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.08 -2.09 58.05 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 112.387 -2.188 . . . . 10.0 113.647 -174.083 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -78.04 -31.04 50.15 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 105.253 -2.128 . . . . 10.0 105.253 174.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.747 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 14.1 p -64.89 173.31 2.37 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 120.648 1.567 . . . . 10.0 109.39 174.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.679 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -111.91 162.58 15.17 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.226 -0.897 . . . . 10.0 109.971 -178.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.679 HD12 ' C ' ' A' ' 52' ' ' SER . 2.2 mp -131.06 159.1 43.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 C-N-CA 124.725 1.21 . . . . 10.0 108.23 -175.414 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.543 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 16.1 p -106.44 152.73 23.25 Favored 'General case' 0 CA--C 1.555 1.136 0 CA-C-N 119.439 1.018 . . . . 10.0 112.108 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.568 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 24.7 p -47.97 -42.34 27.4 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 118.689 2.848 . . . . 10.0 118.689 -173.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.543 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -55.95 -14.75 2.7 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 114.287 1.217 . . . . 10.0 114.287 -176.071 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.446 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 74.7 m-70 -84.13 -16.98 41.63 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 114.568 1.322 . . . . 10.0 114.568 -177.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.454 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -126.65 174.16 8.93 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 118.323 0.51 . . . . 10.0 109.707 -179.206 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.63 141.6 60.55 Favored Pre-proline 0 N--CA 1.431 -1.387 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.62 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 10.2 Cg_endo -51.24 -32.75 42.09 Favored 'Trans proline' 0 C--N 1.324 -0.727 0 C-N-CA 123.433 2.756 . . . . 10.0 112.921 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -60.94 -43.75 98.21 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 114.553 -1.203 . . . . 10.0 108.722 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.488 ' OG ' ' HB2' ' A' ' 73' ' ' LYS . 1.5 t -93.31 3.17 56.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.815 -1.539 . . . . 10.0 114.085 -174.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.62 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -36.79 -60.11 0.64 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.431 1.271 . . . . 10.0 114.431 -179.227 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -168.97 -142.31 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 118.398 0.544 . . . . 10.0 112.126 -178.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.425 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 2.9 ptm180 -58.12 -14.5 6.95 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.121 0.786 . . . . 10.0 113.121 -178.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -85.06 7.6 20.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.134 0.492 . . . . 10.0 109.727 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.797 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.7 t -70.88 -105.92 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.411 -0.813 . . . . 10.0 111.906 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.451 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -103.1 -69.34 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.381 0.511 . . . . 10.0 112.381 -178.701 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -100.49 -71.94 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.99 -0.55 . . . . 10.0 112.359 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.403 ' HB2' ' HE2' ' A' ' 70' ' ' LYS . 3.4 tppt? -145.72 -2.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.665 -0.414 . . . . 10.0 111.714 -178.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.797 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -140.42 -161.74 1.25 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 -178.709 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.718 HD12 HD13 ' A' ' 71' ' ' LEU . 4.2 mp -63.33 -169.0 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 123.691 1.71 . . . . 10.0 110.655 -177.046 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.679 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -86.2 101.72 13.27 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 103.066 -2.939 . . . . 10.0 103.066 171.773 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.404 ' HB2' HH11 ' A' ' 29' ' ' ARG . 0.1 OUTLIER -50.62 -10.89 0.07 Allowed 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 115.16 1.541 . . . . 10.0 115.16 -177.899 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -108.23 18.38 21.15 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.903 -1.044 . . . . 10.0 111.096 176.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.6 144.86 34.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 123.971 1.843 . . . . 10.0 110.722 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.491 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -145.3 150.96 46.51 Favored Pre-proline 0 N--CA 1.45 -0.472 0 CA-C-N 110.445 -3.071 . . . . 10.0 108.015 -178.225 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.496 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 1.8 Cg_endo -46.33 121.46 4.62 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.369 2.713 . . . . 10.0 108.099 177.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.12 -12.23 7.44 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.043 -1.435 . . . . 10.0 109.852 177.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.444 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 1.2 mm -89.1 6.68 3.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.181 -176.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.648 ' HE2' HG22 ' A' ' 40' ' ' VAL . 2.6 m-30 -40.0 -50.73 2.56 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.016 1.117 . . . . 10.0 114.016 -177.551 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.404 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.322 0 CA-C-O 120.785 0.326 . . . . 10.0 110.961 -178.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 . . . . . 0 N--CA 1.444 -0.736 0 N-CA-C 107.632 -1.247 . . . . 10.0 107.632 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.662 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -175.28 158.14 2.32 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.247 -0.888 . . . . 10.0 110.51 178.778 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.518 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 4.1 m -79.37 164.94 23.63 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 106.894 -1.521 . . . . 10.0 106.894 -176.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.566 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 5.4 t -74.77 2.42 10.13 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 113.273 -1.785 . . . . 10.0 111.613 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.92 -147.79 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.69 0.757 . . . . 10.0 112.49 177.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.517 ' CD1' ' HD3' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -112.2 69.28 0.69 Allowed 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.526 -0.916 . . . . 10.0 108.526 -179.303 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.87 34.7 8.79 Favored Glycine 0 N--CA 1.444 -0.804 0 N-CA-C 115.346 0.898 . . . . 10.0 115.346 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.52 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 17.4 t -90.67 77.3 6.37 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 117.75 0.775 . . . . 10.0 113.024 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.662 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 68.6 mttt -75.09 63.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.851 -1.166 . . . . 10.0 107.851 175.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.26 26.35 1.22 Allowed 'General case' 0 C--N 1.318 -0.788 0 O-C-N 121.473 -0.767 . . . . 10.0 111.275 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -24.94 129.57 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.94 1.4 . . . . 10.0 110.471 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.418 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -31.49 108.98 0.05 Allowed 'General case' 0 N--CA 1.471 0.598 0 O-C-N 124.169 0.918 . . . . 10.0 113.379 -176.041 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.418 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 18.6 t70 -137.08 108.7 6.97 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 106.108 -1.812 . . . . 10.0 106.108 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -22.63 66.58 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.12 -0.945 . . . . 10.0 110.432 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -61.76 -27.44 68.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.438 -1.256 . . . . 10.0 108.871 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.522 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -103.91 142.29 24.29 Favored Pre-proline 0 N--CA 1.447 -0.589 0 CA-C-N 114.237 -1.347 . . . . 10.0 107.943 178.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -88.22 77.66 1.51 Allowed 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 121.553 1.502 . . . . 10.0 115.459 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.522 HG13 ' HG3' ' A' ' 18' ' ' LYS . 1.8 m -144.92 146.92 19.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 121.222 0.534 . . . . 10.0 111.975 177.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.04 168.53 9.07 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.058 -1.09 . . . . 10.0 108.058 176.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.418 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -116.03 102.75 9.92 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 117.478 2.399 . . . . 10.0 117.478 -176.595 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.6 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -107.18 157.97 17.47 Favored 'General case' 0 C--O 1.196 -1.727 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 -172.229 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 5.5 mtpt -95.91 165.53 12.23 Favored 'General case' 0 C--N 1.311 -1.068 0 C-N-CA 119.083 -1.047 . . . . 10.0 111.839 178.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.868 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.6 m-85 -56.62 156.47 12.0 Favored Pre-proline 0 N--CA 1.47 0.55 0 CA-C-N 118.913 0.778 . . . . 10.0 111.749 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.632 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 63.9 Cg_endo -77.85 67.63 7.94 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.092 2.528 . . . . 10.0 109.12 177.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.603 HD21 ' HG3' ' A' ' 49' ' ' LYS . 8.6 mt -50.22 -36.69 31.95 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-O 124.389 2.042 . . . . 10.0 115.236 -176.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.1 p -88.43 1.05 55.53 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 109.554 -3.476 . . . . 10.0 113.093 -175.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.537 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.78 59.19 44.29 Favored Pre-proline 0 N--CA 1.441 -0.877 0 N-CA-C 105.916 -1.883 . . . . 10.0 105.916 175.035 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.469 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.4 Cg_endo -47.15 -55.84 3.56 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.871 3.047 . . . . 10.0 115.933 -174.453 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m -50.97 -44.93 60.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.418 0.628 . . . . 10.0 109.95 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.461 HD21 ' O ' ' A' ' 76' ' ' ALA . 1.1 tm? -70.01 -35.79 74.62 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.981 -1.009 . . . . 10.0 108.477 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.868 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 35.4 t -62.19 -36.91 83.34 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 106.965 -1.494 . . . . 10.0 106.965 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -26.12 65.49 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 113.826 1.047 . . . . 10.0 113.826 -176.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -74.71 -22.08 59.03 Favored 'General case' 0 CA--C 1.493 -1.239 0 C-N-CA 115.774 -2.371 . . . . 10.0 109.187 178.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.631 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.7 m0 -58.53 -28.74 65.73 Favored 'General case' 0 N--CA 1.437 -1.111 0 N-CA-C 105.865 -1.902 . . . . 10.0 105.865 178.167 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -55.18 -47.96 74.48 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 123.628 1.68 . . . . 10.0 110.096 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.95 -34.9 63.68 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 110.643 -2.98 . . . . 10.0 112.38 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.423 ' O ' ' HD2' ' A' ' 81' ' ' PHE . . . -87.33 -16.18 35.82 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 120.382 -0.527 . . . . 10.0 110.055 -179.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 36' ' ' TRP . 26.2 t -91.93 35.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 107.55 -1.278 . . . . 10.0 107.55 174.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.61 9.56 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 114.488 -1.233 . . . . 10.0 114.148 -178.048 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.517 ' HD3' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -73.57 135.68 43.94 Favored 'General case' 0 C--N 1.312 -1.056 0 O-C-N 122.15 -0.344 . . . . 10.0 110.359 179.615 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.655 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -51.84 -47.32 64.44 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.568 0.699 . . . . 10.0 109.505 178.685 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.655 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -87.21 66.5 9.28 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 114.911 -1.04 . . . . 10.0 108.704 179.12 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.65 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 1.8 t80 -49.36 120.23 3.94 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.423 -0.808 . . . . 10.0 109.531 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.65 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -61.22 -172.08 0.04 OUTLIER Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 114.634 -1.166 . . . . 10.0 110.242 179.088 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.744 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 85.0 Cg_exo -45.4 175.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.123 1.882 . . . . 10.0 112.407 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.0 p -82.73 -153.65 0.12 Allowed 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 103.435 -2.802 . . . . 10.0 103.435 173.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.603 ' HG3' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -90.08 -4.64 57.24 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 111.552 -2.567 . . . . 10.0 113.765 -173.61 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -77.43 -30.92 53.65 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 105.145 -2.168 . . . . 10.0 105.145 174.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.744 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 15.3 p -64.47 173.59 2.05 Favored 'General case' 0 C--N 1.314 -0.959 0 C-N-CA 117.572 -1.651 . . . . 10.0 109.072 174.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.594 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.67 163.2 13.7 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.52 -1.218 . . . . 10.0 110.209 -178.044 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.594 HD12 ' C ' ' A' ' 52' ' ' SER . 3.4 mp -131.56 157.78 43.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 107.373 -1.343 . . . . 10.0 107.373 -176.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.541 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 14.0 p -107.14 160.3 15.68 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.842 1.201 . . . . 10.0 111.352 178.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.536 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 1.5 p -56.3 -37.33 69.75 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 118.863 2.912 . . . . 10.0 118.863 -172.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.541 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -55.52 -14.64 2.16 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.132 1.16 . . . . 10.0 114.132 -176.401 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 92.8 m-70 -86.76 -15.59 38.92 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.745 1.387 . . . . 10.0 114.745 -177.343 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.58 140.8 39.15 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 118.418 0.554 . . . . 10.0 111.441 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.407 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 1.1 p -43.5 136.08 3.31 Favored Pre-proline 0 N--CA 1.43 -1.436 0 CA-C-N 114.186 -1.37 . . . . 10.0 110.847 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.706 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 8.3 Cg_endo -49.8 -29.23 19.76 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 122.971 2.447 . . . . 10.0 112.158 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.662 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -61.1 -48.6 80.93 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 113.508 -1.678 . . . . 10.0 107.5 175.118 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.616 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -91.19 6.38 45.32 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 114.06 1.133 . . . . 10.0 114.06 -174.79 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.706 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -38.71 -59.99 0.88 Allowed 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.896 -1.047 . . . . 10.0 113.545 179.787 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -175.49 -135.36 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.374 0.509 . . . . 10.0 112.374 -177.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -58.46 -13.4 5.43 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.385 0.674 . . . . 10.0 112.784 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -83.08 5.06 23.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.702 0.287 . . . . 10.0 110.431 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.857 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.4 t -68.63 -110.36 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.362 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.459 ' N ' ' OG ' ' A' ' 67' ' ' SER . 9.7 t30 -101.4 -69.04 0.79 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.174 0.511 . . . . 10.0 111.495 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -94.63 -74.22 0.55 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.191 0.812 . . . . 10.0 113.191 -177.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.415 ' HB2' ' HE2' ' A' ' 70' ' ' LYS . 1.7 tppt? -147.99 0.53 0.63 Allowed 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.056 0.391 . . . . 10.0 112.056 -178.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.857 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -139.38 -162.96 1.4 Allowed 'General case' 0 C--O 1.212 -0.888 0 CA-C-O 118.241 -0.885 . . . . 10.0 109.407 -179.557 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.721 HD12 HD13 ' A' ' 71' ' ' LEU . 3.1 mp -65.29 -172.15 0.09 Allowed 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 122.909 1.338 . . . . 10.0 110.458 -176.021 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.662 ' HD3' ' O ' ' A' ' 61' ' ' ASP . 2.1 mmmm -89.04 103.11 15.75 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 103.73 -2.692 . . . . 10.0 103.73 170.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.537 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 2.1 pm0 -50.6 -4.57 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 115.915 1.82 . . . . 10.0 115.915 -178.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -109.09 17.8 21.27 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.576 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.461 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -143.66 146.65 33.4 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 123.42 1.581 . . . . 10.0 110.639 -178.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.523 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -148.72 150.32 32.94 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 110.848 -2.887 . . . . 10.0 108.558 -177.514 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.523 ' HD2' HG23 ' A' ' 77' ' ' VAL . 1.5 Cg_endo -46.35 121.73 4.89 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.622 2.882 . . . . 10.0 107.896 177.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -125.46 -10.99 6.87 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.293 -1.321 . . . . 10.0 109.762 176.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -90.14 5.75 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.126 -176.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.435 ' HE2' HG22 ' A' ' 40' ' ' VAL . 2.6 m-30 -39.35 -51.18 2.07 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.612 0.967 . . . . 10.0 113.612 -177.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.443 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 119.05 -0.5 . . . . 10.0 110.532 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.578 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 174.41 173.78 0.19 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.022 0.439 . . . . 10.0 111.441 179.117 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.569 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -86.17 161.14 18.99 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 107.021 -1.474 . . . . 10.0 107.021 -177.673 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.561 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 10.6 t -69.67 3.28 2.57 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 113.562 -1.654 . . . . 10.0 112.733 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.71 -152.71 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.806 0.812 . . . . 10.0 112.752 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.436 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 1.0 OUTLIER -108.85 71.33 0.77 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 -178.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.74 28.56 38.13 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.523 -0.846 . . . . 10.0 113.083 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.529 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 41.3 t -83.58 74.33 10.13 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 117.92 0.86 . . . . 10.0 111.671 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.578 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 28.1 mmtp -68.75 63.87 0.11 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.934 -1.136 . . . . 10.0 107.934 176.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.53 30.67 0.7 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 118.585 0.629 . . . . 10.0 112.019 -179.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -22.93 134.68 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 O-C-N 125.248 1.592 . . . . 10.0 111.958 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.545 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -48.0 113.01 0.65 Allowed 'General case' 0 C--N 1.347 0.471 0 CA-C-O 122.185 0.993 . . . . 10.0 110.031 -178.595 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -140.57 113.69 8.44 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 105.061 -2.2 . . . . 10.0 105.061 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -17.26 37.56 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.669 0.747 . . . . 10.0 110.79 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.98 -27.65 66.77 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.523 -1.217 . . . . 10.0 109.58 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.68 147.66 33.94 Favored Pre-proline 0 C--N 1.328 -0.361 0 N-CA-C 108.454 -0.943 . . . . 10.0 108.454 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -90.69 75.42 0.85 Allowed 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 121.552 1.502 . . . . 10.0 115.867 -177.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.442 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 1.9 m -146.21 149.83 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 121.261 0.553 . . . . 10.0 112.311 178.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.7 p -108.43 168.52 9.26 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.114 -0.948 . . . . 10.0 108.595 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.545 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -120.03 101.51 7.9 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 117.045 2.239 . . . . 10.0 117.045 -177.772 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.708 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.19 163.0 13.38 Favored 'General case' 0 C--O 1.198 -1.61 0 N-CA-C 115.44 1.644 . . . . 10.0 115.44 -170.664 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -95.69 165.02 12.52 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.383 -0.826 . . . . 10.0 112.587 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.861 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -59.99 157.55 30.44 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 118.806 0.73 . . . . 10.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.686 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 92.4 Cg_endo -75.98 68.7 6.47 Favored 'Trans proline' 0 CA--C 1.514 -0.483 0 C-N-CA 122.68 2.253 . . . . 10.0 109.329 177.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 27' ' ' LEU . 12.4 mt -50.83 -35.18 31.01 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 124.494 2.092 . . . . 10.0 115.113 -177.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 p -89.84 -1.66 58.04 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 109.304 -3.589 . . . . 10.0 113.231 -176.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.452 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.06 58.58 39.19 Favored Pre-proline 0 N--CA 1.447 -0.622 0 N-CA-C 106.127 -1.805 . . . . 10.0 106.127 175.566 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.509 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 7.3 Cg_endo -47.87 -53.44 6.6 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.766 2.977 . . . . 10.0 115.579 -174.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.8 -46.7 64.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.319 0.58 . . . . 10.0 109.69 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.455 HD22 ' O ' ' A' ' 32' ' ' LEU . 1.4 tm? -71.14 -32.13 68.59 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.268 -1.012 . . . . 10.0 108.268 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.861 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 49.9 t -63.24 -37.58 87.8 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 107.232 -1.395 . . . . 10.0 107.232 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -25.65 66.27 Favored 'General case' 0 N--CA 1.428 -1.528 0 N-CA-C 113.52 0.933 . . . . 10.0 113.52 -176.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.461 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -75.24 -23.62 57.56 Favored 'General case' 0 CA--C 1.491 -1.292 0 C-N-CA 116.643 -2.023 . . . . 10.0 109.21 179.554 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.645 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.4 m0 -57.5 -30.3 65.01 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 105.856 -1.905 . . . . 10.0 105.856 178.383 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -54.79 -48.62 72.51 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 123.418 1.58 . . . . 10.0 110.005 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.45 -35.71 63.29 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 110.647 -2.979 . . . . 10.0 112.5 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.63 -15.18 38.02 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.616 -0.434 . . . . 10.0 110.985 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 36' ' ' TRP . 15.3 t -92.32 35.49 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 107.268 -1.382 . . . . 10.0 107.268 173.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.3 14.33 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 115.707 1.743 . . . . 10.0 115.707 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.421 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -97.14 148.06 23.43 Favored 'General case' 0 C--N 1.314 -0.947 0 O-C-N 121.47 -0.769 . . . . 10.0 111.313 -179.854 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -56.22 -42.6 77.53 Favored 'General case' 0 CA--C 1.517 -0.291 0 O-C-N 123.69 0.619 . . . . 10.0 109.986 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -79.69 63.87 4.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.022 -0.99 . . . . 10.0 109.681 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.513 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 12.6 t80 -62.78 117.87 6.92 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.205 -1.035 . . . . 10.0 108.205 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.569 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -59.38 -173.3 0.04 OUTLIER Pre-proline 0 C--O 1.218 -0.586 0 CA-C-N 114.835 -1.075 . . . . 10.0 110.936 179.161 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.789 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 86.1 Cg_exo -46.79 176.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.656 1.571 . . . . 10.0 112.07 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.475 ' HB ' ' HE3' ' A' ' 49' ' ' LYS . 23.7 p -96.92 161.46 13.83 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 102.854 -3.017 . . . . 10.0 102.854 172.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.594 ' HE2' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -27.23 -16.44 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 O-C-N 127.773 3.171 . . . . 10.0 118.083 175.352 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 48' ' ' THR . 56.4 m-85 -75.49 -28.94 59.4 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 104.359 -2.46 . . . . 10.0 104.359 173.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.789 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 5.7 p -65.61 173.86 2.56 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 120.738 1.608 . . . . 10.0 108.624 172.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.62 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -112.21 164.45 13.19 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.108 -0.951 . . . . 10.0 110.502 -179.152 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.62 HD12 ' C ' ' A' ' 52' ' ' SER . 3.4 mp -132.65 159.25 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.942 1.297 . . . . 10.0 108.455 -176.277 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.565 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 15.2 p -105.53 156.31 18.35 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 119.735 1.152 . . . . 10.0 111.917 179.133 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.708 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.4 p -52.62 -40.79 63.11 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 118.684 2.846 . . . . 10.0 118.684 -173.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.536 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -53.51 -15.31 1.05 Allowed 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 114.399 1.259 . . . . 10.0 114.399 -177.025 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.586 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 90.9 m-70 -86.23 -16.36 37.93 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 114.659 1.355 . . . . 10.0 114.659 -177.279 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.496 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -135.95 137.07 40.94 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-N 118.288 0.495 . . . . 10.0 110.921 -178.483 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 p -41.0 137.27 1.5 Allowed Pre-proline 0 N--CA 1.43 -1.456 0 O-C-N 124.83 1.331 . . . . 10.0 110.901 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.517 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.6 Cg_endo -50.54 -28.18 21.12 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 122.771 2.314 . . . . 10.0 111.765 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.533 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 5.3 m-20 -61.16 -49.84 75.59 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 113.84 -1.527 . . . . 10.0 107.191 174.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.695 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -87.9 6.57 34.97 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 114.003 1.112 . . . . 10.0 114.003 -173.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.525 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 0.6 OUTLIER -39.07 -58.32 1.15 Allowed 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.587 0.958 . . . . 10.0 113.587 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.411 ' HG3' ' OE1' ' A' ' 66' ' ' GLU . 11.7 pttp -176.35 -135.58 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 1.6 ptm180 -62.18 -13.69 30.01 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.468 0.544 . . . . 10.0 112.468 -178.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.411 ' OE1' ' HG3' ' A' ' 64' ' ' LYS . 41.2 mp0 -84.24 6.93 20.84 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 178.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.74 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 3.9 t -67.84 -116.98 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.115 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.457 ' N ' ' OG ' ' A' ' 67' ' ' SER . 1.3 m-20 -103.09 -69.84 0.78 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -89.56 -72.3 0.56 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.621 0.6 . . . . 10.0 112.621 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 14.4 tppt? -146.4 -20.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.401 0.519 . . . . 10.0 112.401 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.983 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -124.42 -159.56 0.88 Allowed 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 108.834 -0.802 . . . . 10.0 108.834 -179.771 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.983 HD12 HD13 ' A' ' 71' ' ' LEU . 1.2 mp -62.54 -172.0 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 122.422 1.106 . . . . 10.0 110.041 -176.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.645 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 5.3 mmmm -87.34 102.15 14.24 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 102.928 -2.99 . . . . 10.0 102.928 170.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.452 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -53.08 -3.87 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 115.519 1.674 . . . . 10.0 115.519 -178.186 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' A' ' 73' ' ' LYS . 1.3 m-20 -107.33 18.83 21.13 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 114.794 -1.094 . . . . 10.0 109.92 175.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.12 143.71 30.53 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 123.61 1.671 . . . . 10.0 109.6 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.462 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -147.61 148.28 30.36 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 110.839 -2.892 . . . . 10.0 107.665 -179.115 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.586 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 1.7 Cg_endo -43.95 118.28 1.53 Allowed 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 123.398 2.732 . . . . 10.0 107.486 177.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.17 -9.24 7.62 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 112.988 -1.914 . . . . 10.0 109.052 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.432 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.7 OUTLIER -96.2 7.61 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-N 115.282 -0.872 . . . . 10.0 110.817 -176.74 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.49 ' HA ' ' ND1' ' A' ' 57' ' ' HIS . 1.3 m-30 -39.91 -52.89 2.38 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 113.891 1.071 . . . . 10.0 113.891 -177.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 120.712 0.291 . . . . 10.0 110.779 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 . . . . . 0 N--CA 1.448 -0.572 0 N-CA-C 107.581 -1.266 . . . . 10.0 107.581 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.573 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER 179.28 169.78 1.0 Allowed 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.324 -0.853 . . . . 10.0 110.077 177.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.6 m -78.39 163.32 25.75 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 106.722 -1.584 . . . . 10.0 106.722 -176.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.691 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 29.3 t -74.06 0.57 13.35 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 113.216 -1.811 . . . . 10.0 111.078 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.95 -147.47 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.865 0.84 . . . . 10.0 112.747 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.584 ' CE1' ' HD3' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -116.34 73.58 0.86 Allowed 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 121.187 -0.946 . . . . 10.0 109.937 -177.835 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.23 32.86 21.91 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.361 -0.836 . . . . 10.0 114.598 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.529 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 24.1 t -89.57 74.12 7.67 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.034 0.445 . . . . 10.0 112.103 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.573 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 22.7 mmtt -71.91 63.73 0.48 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.843 -1.169 . . . . 10.0 107.843 176.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -92.33 26.1 2.7 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 121.846 -0.534 . . . . 10.0 111.303 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -23.26 133.7 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.266 0 O-C-N 124.86 1.35 . . . . 10.0 111.569 -179.528 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -35.6 108.79 0.07 Allowed 'General case' 0 C--N 1.351 0.659 0 CA-C-O 121.738 0.78 . . . . 10.0 112.547 -176.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.457 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 13.7 t0 -133.29 106.76 7.73 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 105.986 -1.857 . . . . 10.0 105.986 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -62.77 -16.26 57.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.425 -1.262 . . . . 10.0 111.521 -178.881 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.452 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.8 OUTLIER -73.84 -23.84 59.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.005 -0.998 . . . . 10.0 108.633 179.539 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.491 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -102.97 150.74 38.09 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 114.688 -1.142 . . . . 10.0 108.005 179.369 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -91.1 75.21 0.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.535 0 N-CA-C 116.116 1.544 . . . . 10.0 116.116 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.491 HG13 ' HG3' ' A' ' 18' ' ' LYS . 2.4 m -144.12 146.17 20.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 O-C-N 121.351 -0.843 . . . . 10.0 111.589 177.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.97 168.03 9.4 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.497 -0.774 . . . . 10.0 108.979 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -117.1 102.31 9.2 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 117.772 2.508 . . . . 10.0 117.772 -176.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.562 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -108.19 163.14 13.43 Favored 'General case' 0 C--O 1.198 -1.649 0 N-CA-C 115.286 1.587 . . . . 10.0 115.286 -171.365 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -96.0 164.83 12.54 Favored 'General case' 0 C--N 1.311 -1.101 0 C-N-CA 119.415 -0.914 . . . . 10.0 111.173 177.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.922 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.08 158.88 12.12 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 118.981 0.81 . . . . 10.0 110.157 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.673 ' HB3' HD13 ' A' ' 72' ' ' LEU . 60.3 Cg_endo -79.08 68.04 8.4 Favored 'Trans proline' 0 N--CA 1.474 0.34 0 C-N-CA 122.856 2.371 . . . . 10.0 108.158 177.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.511 HD21 ' HG3' ' A' ' 49' ' ' LYS . 10.2 mt -49.29 -38.73 28.39 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 112.83 -1.987 . . . . 10.0 115.697 -176.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.5 p -86.73 -1.08 57.44 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 109.164 -3.653 . . . . 10.0 113.62 -175.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.525 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -128.04 59.29 39.08 Favored Pre-proline 0 N--CA 1.446 -0.627 0 N-CA-C 105.453 -2.054 . . . . 10.0 105.453 174.622 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -47.09 -55.68 3.7 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.736 2.957 . . . . 10.0 115.45 -173.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.79 -47.74 51.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.267 0.556 . . . . 10.0 110.088 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.496 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . 1.4 tm? -69.9 -33.96 72.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.155 -0.929 . . . . 10.0 108.57 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.922 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 10.7 t -61.91 -38.43 88.37 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 106.894 -1.521 . . . . 10.0 106.894 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -69.18 -24.09 64.01 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 113.709 1.003 . . . . 10.0 113.709 -175.481 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -75.3 -22.04 58.01 Favored 'General case' 0 CA--C 1.484 -1.583 0 C-N-CA 116.054 -2.258 . . . . 10.0 108.864 179.162 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.728 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.5 m0 -56.41 -29.09 61.12 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 106.117 -1.808 . . . . 10.0 106.117 177.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -53.62 -49.4 67.92 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 123.772 1.749 . . . . 10.0 110.237 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.17 -33.74 63.24 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 110.411 -3.086 . . . . 10.0 112.649 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.62 -14.92 38.76 Favored 'General case' 0 C--N 1.309 -1.191 0 C-N-CA 119.602 -0.839 . . . . 10.0 109.707 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 36' ' ' TRP . 18.0 t -90.67 34.72 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 1.017 0 CA-C-O 122.691 1.234 . . . . 10.0 108.01 175.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.03 13.35 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 114.366 -1.288 . . . . 10.0 114.194 -177.34 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.584 ' HD3' ' CE1' ' A' ' 8' ' ' TYR . 12.4 tpt180 -76.89 142.27 40.21 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -52.97 -57.77 9.22 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.977 0.418 . . . . 10.0 110.175 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.71 69.21 9.44 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.665 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -49.89 121.18 5.02 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 114.871 -1.059 . . . . 10.0 109.433 178.02 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.691 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -61.31 -171.27 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.175 -0.92 . . . . 10.0 110.582 178.471 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.745 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 79.6 Cg_exo -44.95 176.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.352 2.035 . . . . 10.0 113.036 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.419 ' HB ' ' HE3' ' A' ' 49' ' ' LYS . 43.2 p -83.69 -153.63 0.14 Allowed 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 103.238 -2.875 . . . . 10.0 103.238 172.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.633 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -89.97 -3.45 58.0 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 112.455 -2.157 . . . . 10.0 114.224 -173.863 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -77.58 -31.1 52.88 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 105.383 -2.08 . . . . 10.0 105.383 174.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.745 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 14.2 p -63.44 172.35 2.06 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 117.926 -1.51 . . . . 10.0 109.032 174.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.663 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -109.52 159.1 17.35 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.221 -1.354 . . . . 10.0 109.913 -178.702 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.663 HD12 ' C ' ' A' ' 52' ' ' SER . 2.1 mp -128.63 159.2 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 108.063 -1.088 . . . . 10.0 108.063 -176.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.561 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 16.4 p -105.74 157.72 17.24 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-N 119.345 0.975 . . . . 10.0 111.25 178.119 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.533 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 1.3 p -54.24 -39.33 66.69 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 118.834 2.902 . . . . 10.0 118.834 -173.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.561 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -54.98 -14.87 1.65 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 114.384 1.253 . . . . 10.0 114.384 -176.366 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.435 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 87.4 m-70 -84.48 -16.68 41.63 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 114.651 1.352 . . . . 10.0 114.651 -177.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.455 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -127.41 174.65 8.83 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 -178.706 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.43 140.78 52.31 Favored Pre-proline 0 N--CA 1.428 -1.545 0 N-CA-C 108.972 -0.751 . . . . 10.0 108.972 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.697 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 8.2 Cg_endo -49.96 -32.04 29.26 Favored 'Trans proline' 0 C--N 1.329 -0.482 0 C-N-CA 123.328 2.686 . . . . 10.0 112.291 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.539 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 4.4 m-20 -57.91 -47.39 82.97 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.12 -1.4 . . . . 10.0 109.207 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.534 ' CB ' ' HG2' ' A' ' 73' ' ' LYS . 1.4 t -92.76 4.54 53.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 113.79 -1.55 . . . . 10.0 113.872 -174.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.697 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -39.05 -52.8 1.83 Allowed 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 114.301 1.223 . . . . 10.0 114.301 -179.739 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -175.3 -140.61 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.361 0.874 . . . . 10.0 113.361 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.424 ' HG3' ' OE1' ' A' ' 66' ' ' GLU . 1.6 ptm180 -59.86 -8.54 2.24 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 -178.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.424 ' OE1' ' HG3' ' A' ' 65' ' ' ARG . 1.1 mp0 -90.63 5.52 47.62 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.18 -0.304 . . . . 10.0 110.18 178.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.832 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 5.5 t -68.49 -115.11 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.854 0 CA-C-O 120.813 0.34 . . . . 10.0 110.809 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.443 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -98.93 -70.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.943 -0.473 . . . . 10.0 111.744 -178.793 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -88.64 -74.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.366 -0.534 . . . . 10.0 112.261 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.423 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 12.1 tppt? -148.45 -1.24 0.54 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.45 0.643 . . . . 10.0 111.004 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.832 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -140.55 -161.58 1.22 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 118.209 -0.9 . . . . 10.0 109.217 -178.675 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.774 HD12 HD13 ' A' ' 71' ' ' LEU . 4.0 mp -63.13 -175.7 0.11 Allowed 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 122.57 1.176 . . . . 10.0 110.933 -176.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.746 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -88.36 106.2 18.09 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 104.391 -2.448 . . . . 10.0 104.391 171.119 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.525 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -50.82 -4.14 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 116.09 1.885 . . . . 10.0 116.09 -177.724 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.402 ' H ' ' C ' ' A' ' 73' ' ' LYS . 1.4 m120 -106.74 14.06 27.26 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.473 -0.785 . . . . 10.0 110.974 175.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.48 141.71 39.42 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 123.722 1.725 . . . . 10.0 110.137 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.512 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -147.45 147.91 29.61 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 110.566 -3.015 . . . . 10.0 108.379 -178.901 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.512 ' HD2' HG23 ' A' ' 77' ' ' VAL . 2.1 Cg_endo -46.27 120.72 3.92 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 123.883 3.055 . . . . 10.0 108.875 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.0 t -125.26 -10.44 6.99 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 113.454 -1.703 . . . . 10.0 110.133 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.415 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.9 OUTLIER -90.0 6.16 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 115.591 -0.731 . . . . 10.0 111.321 -176.23 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.586 ' HE2' HG22 ' A' ' 40' ' ' VAL . 2.9 m-30 -41.06 -54.15 2.88 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.099 1.148 . . . . 10.0 114.099 -177.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.557 -0.534 . . . . 10.0 109.557 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.423 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -179.17 167.4 1.55 Allowed 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 178.766 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.63 166.27 23.22 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 107.454 -1.313 . . . . 10.0 107.454 -175.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.523 ' HA ' ' HB3' ' A' ' 46' ' ' LYS . 28.2 t -70.52 -1.11 9.94 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 112.106 -2.315 . . . . 10.0 111.255 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.76 -147.93 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 122.038 0.923 . . . . 10.0 110.905 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 11.7 p90 -147.25 74.66 1.34 Allowed 'General case' 0 N--CA 1.442 -0.859 0 O-C-N 121.142 -0.974 . . . . 10.0 109.389 178.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.06 -0.62 9.05 Favored Glycine 0 N--CA 1.439 -1.155 0 C-N-CA 120.06 -1.067 . . . . 10.0 113.838 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.541 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 41.8 t -92.43 75.14 5.21 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 114.047 1.129 . . . . 10.0 114.047 -178.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 69.4 mttt -74.47 68.57 1.59 Allowed 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 106.688 -1.597 . . . . 10.0 106.688 175.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.426 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 1.5 m-20 -90.23 30.15 1.15 Allowed 'General case' 0 C--N 1.321 -0.646 0 O-C-N 121.524 -0.735 . . . . 10.0 112.645 -178.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -24.67 139.97 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 O-C-N 124.902 1.376 . . . . 10.0 112.698 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.49 111.56 0.35 Allowed 'General case' 0 C--N 1.345 0.408 0 CA-C-O 122.243 1.02 . . . . 10.0 110.586 -177.099 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.419 ' CB ' ' HD2' ' A' ' 18' ' ' LYS . 1.2 t0 -139.57 108.92 6.13 Favored 'General case' 0 N--CA 1.434 -1.225 0 N-CA-C 105.168 -2.16 . . . . 10.0 105.168 177.172 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -58.08 -20.77 42.24 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.13 -0.941 . . . . 10.0 111.167 179.784 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.439 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 3.2 m-20 -65.84 -26.34 67.62 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.519 -1.218 . . . . 10.0 109.753 178.133 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HD2' ' CB ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -104.95 147.04 33.82 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 107.883 -1.155 . . . . 10.0 107.883 178.699 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -88.15 75.2 1.99 Allowed 'Trans proline' 0 N--CA 1.46 -0.495 0 N-CA-C 115.123 1.163 . . . . 10.0 115.123 -177.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.5 142.76 26.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 119.913 -0.715 . . . . 10.0 112.045 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -104.95 166.87 10.09 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 114.901 -1.045 . . . . 10.0 108.339 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -118.4 103.04 9.4 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 116.764 2.135 . . . . 10.0 116.764 -177.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.742 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.51 162.85 13.57 Favored 'General case' 0 C--O 1.193 -1.873 0 N-CA-C 115.078 1.51 . . . . 10.0 115.078 -170.652 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -96.17 165.52 12.19 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 119.389 -0.924 . . . . 10.0 112.007 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.871 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -60.94 157.89 37.68 Favored Pre-proline 0 N--CA 1.47 0.574 0 CA-C-N 119.438 1.017 . . . . 10.0 110.967 178.806 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.612 ' HB3' HD13 ' A' ' 72' ' ' LEU . 53.8 Cg_endo -78.77 67.49 8.45 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.127 2.551 . . . . 10.0 109.037 178.113 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.628 HD21 ' HG3' ' A' ' 49' ' ' LYS . 14.9 mt -52.13 -34.51 44.82 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 124.335 2.017 . . . . 10.0 115.585 -176.221 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 p -84.98 -1.01 56.26 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 109.472 -3.513 . . . . 10.0 113.193 -175.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.572 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 5.7 ttm180 -134.66 64.37 63.1 Favored Pre-proline 0 N--CA 1.44 -0.949 0 N-CA-C 105.997 -1.853 . . . . 10.0 105.997 174.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.531 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.6 Cg_endo -48.84 -51.84 9.73 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 123.213 2.609 . . . . 10.0 114.472 -176.059 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -50.85 -47.62 60.27 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 -179.606 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.572 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 2.0 tm? -70.24 -33.72 71.98 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.479 -0.934 . . . . 10.0 108.479 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.871 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 50.3 t -61.71 -38.12 86.69 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 107.91 -1.145 . . . . 10.0 107.91 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -66.47 -27.51 67.86 Favored 'General case' 0 N--CA 1.422 -1.844 0 CA-C-N 114.591 -1.186 . . . . 10.0 113.484 -176.095 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.439 ' HG2' ' H ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER -74.84 -23.21 58.41 Favored 'General case' 0 CA--C 1.493 -1.222 0 C-N-CA 115.767 -2.373 . . . . 10.0 109.109 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.707 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.9 m0 -56.22 -31.94 63.96 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 105.663 -1.977 . . . . 10.0 105.663 177.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -54.47 -48.25 72.0 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 123.675 1.703 . . . . 10.0 110.635 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.09 -36.05 62.75 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 110.728 -2.942 . . . . 10.0 112.151 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.98 -14.49 36.46 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 119.792 -0.763 . . . . 10.0 110.861 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 36' ' ' TRP . 19.4 t -91.34 30.89 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 N-CA-C 107.914 -1.143 . . . . 10.0 107.914 175.073 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.53 13.88 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.485 1.291 . . . . 10.0 114.485 -178.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 14.1 tpt180 -81.31 151.23 28.13 Favored 'General case' 0 C--N 1.31 -1.141 0 O-C-N 121.985 -0.447 . . . . 10.0 111.112 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.543 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 15.3 ttpp -75.89 158.9 31.51 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 105.707 -1.96 . . . . 10.0 105.707 174.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.478 ' OD1' ' HG2' ' A' ' 43' ' ' LYS . 31.6 m-20 65.27 30.0 11.42 Favored 'General case' 0 N--CA 1.435 -1.222 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.638 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -29.09 124.96 0.12 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.856 1.263 . . . . 10.0 111.303 178.606 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.638 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 1.1 mttp -58.39 -173.14 0.04 OUTLIER Pre-proline 0 C--O 1.216 -0.669 0 C-N-CA 124.465 1.106 . . . . 10.0 111.063 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.783 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 87.8 Cg_exo -45.32 175.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 C-N-CA 122.495 2.13 . . . . 10.0 112.858 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 50' ' ' TYR . 13.9 p -101.76 159.74 15.07 Favored 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 102.772 -3.047 . . . . 10.0 102.772 172.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.628 ' HG3' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -25.86 -17.85 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 O-C-N 128.046 3.341 . . . . 10.0 118.032 175.627 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 48' ' ' THR . 81.0 m-85 -74.84 -27.31 60.22 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 104.619 -2.363 . . . . 10.0 104.619 173.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.783 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 4.1 p -67.4 173.06 4.28 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 120.59 1.541 . . . . 10.0 109.268 172.621 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.529 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -110.3 161.0 16.05 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 114.985 -1.007 . . . . 10.0 109.266 -179.756 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.529 HD12 ' C ' ' A' ' 52' ' ' SER . 3.3 mp -129.34 157.15 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 124.646 1.178 . . . . 10.0 108.432 -175.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.55 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 21.2 p -106.46 151.29 25.14 Favored 'General case' 0 CA--C 1.554 1.101 0 CA-C-N 120.046 1.294 . . . . 10.0 112.938 179.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.742 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 49.9 p -39.17 -49.7 1.86 Allowed 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 118.734 2.864 . . . . 10.0 118.734 -174.16 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.55 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -50.09 -16.37 0.29 Allowed 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 114.899 1.444 . . . . 10.0 114.899 -175.484 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.562 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 84.2 m-70 -85.82 -17.02 36.85 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 114.061 1.134 . . . . 10.0 114.061 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.575 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -133.82 132.86 40.92 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 118.727 0.694 . . . . 10.0 111.689 -179.397 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p -40.38 137.59 1.28 Allowed Pre-proline 0 N--CA 1.434 -1.272 0 O-C-N 124.865 1.353 . . . . 10.0 110.621 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.626 ' O ' ' HB2' ' A' ' 63' ' ' PHE . 8.9 Cg_endo -49.51 -27.94 15.29 Favored 'Trans proline' 0 C--N 1.323 -0.795 0 C-N-CA 123.067 2.512 . . . . 10.0 111.831 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.47 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -61.64 -51.22 69.36 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 113.49 -1.686 . . . . 10.0 107.588 174.8 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.621 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -88.03 6.54 35.59 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 113.612 0.967 . . . . 10.0 113.612 -174.296 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.626 ' HB2' ' O ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -37.69 -61.39 0.63 Allowed 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 113.958 -1.474 . . . . 10.0 114.34 179.637 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.564 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -175.97 -131.72 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 117.823 0.283 . . . . 10.0 111.581 -178.442 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.593 ' HA ' ' C ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -61.7 -20.9 63.98 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.15 0.5 . . . . 10.0 110.886 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -81.96 5.91 17.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.631 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.784 ' OG ' ' HD2' ' A' ' 73' ' ' LYS . 1.4 t -72.35 -95.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.016 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.424 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.4 OUTLIER -100.98 -71.14 0.72 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.213 0.53 . . . . 10.0 110.023 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -111.14 -64.64 1.25 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.559 -0.746 . . . . 10.0 111.771 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.593 ' C ' ' HA ' ' A' ' 65' ' ' ARG . 13.0 ttmm -146.21 1.99 0.86 Allowed 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 111.801 0.297 . . . . 10.0 111.801 -178.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.911 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -146.4 -170.84 3.6 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.766 -0.635 . . . . 10.0 110.053 179.527 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.911 HD12 HD13 ' A' ' 71' ' ' LEU . 2.1 mp -61.74 -177.35 0.11 Allowed 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 122.56 1.171 . . . . 10.0 110.815 -174.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.784 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -88.84 108.68 19.65 Favored 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 104.558 -2.386 . . . . 10.0 104.558 172.177 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -51.49 -5.16 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 115.329 1.604 . . . . 10.0 115.329 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.409 ' H ' ' C ' ' A' ' 73' ' ' LYS . 1.8 m-20 -110.43 18.05 20.19 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.213 -0.903 . . . . 10.0 110.671 176.007 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.51 145.34 32.49 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 123.894 1.806 . . . . 10.0 110.718 -177.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.47 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -150.84 148.99 24.37 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 110.306 -3.134 . . . . 10.0 107.757 -178.026 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.562 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 2.2 Cg_endo -43.93 120.39 2.38 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 123.51 2.807 . . . . 10.0 108.444 178.027 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 t -123.0 -10.65 8.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 113.418 -1.719 . . . . 10.0 109.363 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.49 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.8 OUTLIER -91.49 7.07 4.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 115.068 -0.969 . . . . 10.0 112.508 -176.096 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.497 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 3.9 m-30 -40.49 -53.72 2.61 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.311 0.856 . . . . 10.0 113.311 -177.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.581 ' HB2' ' CE1' ' A' ' 8' ' ' TYR . 7.5 mt . . . . . 0 CA--C 1.517 -0.3 0 O-C-N 123.297 0.373 . . . . 10.0 110.128 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 . . . . . 0 N--CA 1.447 -0.579 0 N-CA-C 110.443 -0.206 . . . . 10.0 110.443 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.596 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER 178.87 170.27 0.87 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 120.875 0.369 . . . . 10.0 111.3 178.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.34 167.73 16.27 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 107.613 -1.254 . . . . 10.0 107.613 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.671 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 8.2 t -74.46 2.32 9.81 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 112.859 -1.973 . . . . 10.0 111.832 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.79 -152.29 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 122.181 0.991 . . . . 10.0 112.956 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.458 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 1.4 t80 -109.02 67.27 0.65 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 -178.557 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.41 35.17 12.38 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 120.738 -0.744 . . . . 10.0 113.528 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.53 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 8.3 t -85.99 76.45 9.82 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 117.614 0.707 . . . . 10.0 112.563 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.596 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 29.4 mmtp -73.29 62.83 0.71 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.855 -0.794 . . . . 10.0 108.855 176.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.445 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER -89.65 30.3 1.05 Allowed 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.72 -0.613 . . . . 10.0 111.64 -179.125 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -23.97 135.72 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 O-C-N 124.902 1.376 . . . . 10.0 112.145 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.52 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -44.68 111.72 0.34 Allowed 'General case' 0 C--N 1.35 0.628 0 CA-C-O 122.152 0.977 . . . . 10.0 111.126 -177.877 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.585 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 0.9 OUTLIER -140.58 111.28 6.89 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 105.474 -2.047 . . . . 10.0 105.474 178.908 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -61.03 -21.2 63.38 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.973 -1.012 . . . . 10.0 112.013 -178.36 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.585 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 1.5 m-20 -68.35 -22.09 64.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.626 -1.17 . . . . 10.0 109.692 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.55 138.76 19.68 Favored Pre-proline 0 C--N 1.315 -0.925 0 N-CA-C 107.923 -1.14 . . . . 10.0 107.923 177.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -84.92 76.36 3.3 Favored 'Trans proline' 0 C--O 1.238 0.484 0 C-N-CA 121.58 1.52 . . . . 10.0 116.015 -176.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.407 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 3.4 m -144.41 143.1 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.581 0.705 . . . . 10.0 111.797 178.191 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.59 168.68 9.12 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 114.663 -1.153 . . . . 10.0 107.918 177.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.52 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -118.66 102.56 8.95 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 117.331 2.345 . . . . 10.0 117.331 -177.266 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.626 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -106.13 159.63 15.94 Favored 'General case' 0 C--O 1.195 -1.792 0 N-CA-C 114.827 1.417 . . . . 10.0 114.827 -170.876 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 34.4 mtpt -95.03 164.46 12.88 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 114.985 -1.007 . . . . 10.0 111.418 178.579 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.823 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -57.8 156.47 18.32 Favored Pre-proline 0 C--N 1.318 -0.791 0 CA-C-N 118.067 0.394 . . . . 10.0 110.915 -179.748 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.554 ' HB3' HD13 ' A' ' 72' ' ' LEU . 51.9 Cg_endo -78.48 67.58 8.27 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.818 2.345 . . . . 10.0 108.519 178.379 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 27' ' ' LEU . 18.2 mt -49.42 -38.78 30.34 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 112.486 -2.143 . . . . 10.0 115.756 -177.299 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 p -88.09 0.64 55.74 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 109.884 -3.325 . . . . 10.0 112.587 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.432 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -127.5 56.51 19.85 Favored Pre-proline 0 N--CA 1.439 -0.997 0 N-CA-C 105.858 -1.904 . . . . 10.0 105.858 175.067 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.579 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 9.2 Cg_endo -48.36 -53.58 6.57 Favored 'Trans proline' 0 C--O 1.219 -0.454 0 C-N-CA 123.938 3.092 . . . . 10.0 115.362 -174.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -52.85 -45.81 67.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.499 0.666 . . . . 10.0 109.291 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.465 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 2.2 tm? -70.54 -31.92 69.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.406 -1.27 . . . . 10.0 108.97 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.823 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 44.0 t -63.95 -36.83 85.24 Favored 'General case' 0 CA--C 1.502 -0.893 0 N-CA-C 107.293 -1.373 . . . . 10.0 107.293 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -66.56 -27.41 67.71 Favored 'General case' 0 N--CA 1.421 -1.888 0 CA-C-N 115.018 -0.992 . . . . 10.0 113.515 -176.44 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.467 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -74.81 -22.27 58.82 Favored 'General case' 0 CA--C 1.497 -1.074 0 C-N-CA 116.044 -2.263 . . . . 10.0 108.785 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.701 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.8 m0 -58.82 -29.87 67.21 Favored 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 106.118 -1.808 . . . . 10.0 106.118 178.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -55.39 -48.43 74.33 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 123.544 1.64 . . . . 10.0 109.338 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -55.09 -34.44 63.64 Favored 'General case' 0 C--N 1.361 1.108 0 CA-C-N 110.593 -3.003 . . . . 10.0 112.001 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.439 ' O ' ' HD2' ' A' ' 81' ' ' PHE . . . -87.23 -15.21 38.87 Favored 'General case' 0 C--N 1.309 -1.179 0 C-N-CA 120.582 -0.447 . . . . 10.0 110.266 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 36' ' ' TRP . 18.5 t -91.51 44.06 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 107.741 -1.207 . . . . 10.0 107.741 174.034 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.31 12.12 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.292 1.219 . . . . 10.0 114.292 -178.116 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.479 ' CZ ' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -76.58 137.43 39.53 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 179.323 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' H ' ' CZ ' ' A' ' 42' ' ' ARG . 36.4 tttt -54.69 -52.6 61.89 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 108.863 -0.792 . . . . 10.0 108.863 178.664 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.471 ' OD1' ' HG3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -82.49 66.78 8.25 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.288 -0.869 . . . . 10.0 108.839 178.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.641 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 5.6 t80 -47.17 126.12 8.78 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.247 -0.888 . . . . 10.0 109.425 178.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.671 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.3 OUTLIER -61.92 -172.23 0.05 OUTLIER Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 114.836 -1.074 . . . . 10.0 110.834 178.828 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.783 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 80.8 Cg_exo -46.39 176.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 122.117 1.878 . . . . 10.0 111.83 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.4 p -81.74 -153.02 0.1 Allowed 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 103.382 -2.822 . . . . 10.0 103.382 173.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.497 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.46 -3.26 57.78 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 112.061 -2.336 . . . . 10.0 114.219 -174.077 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -77.88 -31.77 51.5 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 105.391 -2.077 . . . . 10.0 105.391 173.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.783 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 9.4 p -62.43 172.32 1.59 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 120.606 1.548 . . . . 10.0 109.55 175.292 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.646 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -110.31 160.81 16.22 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.076 -1.42 . . . . 10.0 109.764 -178.577 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.646 HD12 ' C ' ' A' ' 52' ' ' SER . 2.9 mp -130.36 157.11 42.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 114.159 -1.382 . . . . 10.0 107.578 -175.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.539 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 15.9 p -107.65 155.17 20.45 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 120.185 1.357 . . . . 10.0 111.969 178.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.507 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 2.2 p -48.46 -39.16 21.91 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 119.024 2.972 . . . . 10.0 119.024 -172.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.539 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -54.85 -16.05 2.37 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 114.427 1.269 . . . . 10.0 114.427 -176.087 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.559 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 88.3 m-70 -85.67 -16.85 37.77 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 114.535 1.309 . . . . 10.0 114.535 -177.315 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.406 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -138.73 137.16 36.49 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-N 118.361 0.528 . . . . 10.0 111.353 -178.501 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.8 p -42.58 139.12 2.04 Favored Pre-proline 0 N--CA 1.434 -1.272 0 O-C-N 124.689 1.243 . . . . 10.0 111.72 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.669 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.5 Cg_endo -50.31 -28.61 21.06 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 122.733 2.288 . . . . 10.0 112.136 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.491 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 0.8 OUTLIER -60.48 -50.76 72.27 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 113.51 -1.677 . . . . 10.0 107.436 174.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.598 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -90.76 7.21 40.8 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 113.865 1.061 . . . . 10.0 113.865 -174.531 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.669 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -40.72 -59.49 1.38 Allowed 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 113.97 1.1 . . . . 10.0 113.97 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 pttt -175.83 -136.54 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -177.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -59.59 -13.72 10.53 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.333 0.653 . . . . 10.0 112.55 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -85.37 5.74 29.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.785 0.326 . . . . 10.0 110.619 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.823 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 9.0 t -68.01 -114.05 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.938 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.4 ' N ' ' OG ' ' A' ' 67' ' ' SER . 1.1 m120 -102.81 -75.08 0.62 Allowed 'General case' 0 C--N 1.321 -0.653 0 O-C-N 122.027 -0.421 . . . . 10.0 112.102 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -82.83 -74.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.794 -0.362 . . . . 10.0 111.774 -177.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -149.9 -2.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.917 0.389 . . . . 10.0 111.932 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.823 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -139.44 -163.82 1.56 Allowed 'General case' 0 C--O 1.213 -0.856 0 CA-C-O 118.277 -0.868 . . . . 10.0 109.297 -179.111 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.67 ' H ' HD12 ' A' ' 72' ' ' LEU . 3.4 mp -62.73 -173.47 0.05 Allowed 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 122.396 1.093 . . . . 10.0 109.936 -175.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.589 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -87.79 101.98 14.22 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 104.482 -2.414 . . . . 10.0 104.482 170.721 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.465 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -49.72 -4.27 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 116.261 1.949 . . . . 10.0 116.261 -177.119 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -106.82 14.46 26.66 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.212 175.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.414 ' HB3' ' OG ' ' A' ' 62' ' ' SER . . . -140.73 146.46 37.77 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 123.595 1.664 . . . . 10.0 110.954 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.467 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -147.16 149.84 36.39 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 111.076 -2.783 . . . . 10.0 109.312 -177.605 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.562 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 2.1 Cg_endo -45.9 122.78 5.46 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 123.148 2.565 . . . . 10.0 107.437 176.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.01 -10.55 7.14 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 113.961 -1.472 . . . . 10.0 109.757 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.446 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -93.29 6.56 6.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 115.593 -0.731 . . . . 10.0 111.178 -175.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.451 ' HA ' ' ND1' ' A' ' 57' ' ' HIS . 1.7 m-30 -39.06 -45.12 1.21 Allowed 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.938 1.088 . . . . 10.0 113.938 -177.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.458 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 N-CA-C 109.964 -0.384 . . . . 10.0 109.964 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 . . . . . 0 N--CA 1.445 -0.711 0 N-CA-C 108.972 -0.751 . . . . 10.0 108.972 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.661 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 1.1 t -177.63 161.44 1.68 Allowed 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.796 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.635 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 1.6 m -80.5 163.17 23.95 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 107.155 -1.424 . . . . 10.0 107.155 -176.056 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.617 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -72.67 1.22 8.75 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 112.201 -2.272 . . . . 10.0 112.271 -179.839 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.13 -149.09 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.764 0.793 . . . . 10.0 111.656 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.57 ' CE2' ' HD3' ' A' ' 42' ' ' ARG . 1.4 t80 -110.88 69.43 0.69 Allowed 'General case' 0 N--CA 1.442 -0.826 0 O-C-N 121.083 -1.01 . . . . 10.0 108.855 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.78 29.96 14.47 Favored Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 114.994 -1.003 . . . . 10.0 114.541 178.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.505 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 44.8 t -83.96 75.54 10.12 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 117.715 0.758 . . . . 10.0 112.119 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.661 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 58.6 mttt -72.06 65.16 0.56 Allowed 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.658 -0.867 . . . . 10.0 108.658 176.466 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -91.11 27.25 1.92 Allowed 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.65 -0.656 . . . . 10.0 111.634 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -23.68 136.37 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 124.808 1.317 . . . . 10.0 111.71 -179.352 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.436 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -46.31 109.77 0.22 Allowed 'General case' 0 C--N 1.349 0.569 0 CA-C-O 121.873 0.844 . . . . 10.0 111.287 -176.83 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.63 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 67.1 t0 -133.78 118.31 17.89 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 104.565 -2.383 . . . . 10.0 104.565 176.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HD3' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -62.94 -17.3 61.7 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 114.386 -1.279 . . . . 10.0 110.572 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.439 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -71.46 -27.66 63.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.876 -1.056 . . . . 10.0 109.777 178.577 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -100.85 142.44 24.62 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 114.936 -1.029 . . . . 10.0 108.338 179.507 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 18' ' ' LYS . 25.6 Cg_endo -90.74 77.03 0.72 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 121.76 1.64 . . . . 10.0 115.496 -176.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.441 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 1.6 m -145.31 148.2 17.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-O 121.37 0.605 . . . . 10.0 111.537 179.123 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 p -103.45 167.86 9.53 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 114.506 -1.224 . . . . 10.0 108.526 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.436 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 1.7 m-85 -121.27 102.05 8.04 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 116.518 2.044 . . . . 10.0 116.518 -177.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.711 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.52 160.17 15.87 Favored 'General case' 0 C--O 1.202 -1.428 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 -171.168 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -94.98 162.0 13.91 Favored 'General case' 0 C--N 1.307 -1.276 0 C-N-CA 119.182 -1.007 . . . . 10.0 111.563 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.848 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.2 m-85 -56.01 157.16 8.83 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 118.79 0.723 . . . . 10.0 110.762 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.612 ' HB3' HD13 ' A' ' 72' ' ' LEU . 65.1 Cg_endo -76.98 66.86 7.65 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.733 2.288 . . . . 10.0 108.871 177.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 27' ' ' LEU . 12.1 mt -50.5 -35.26 28.45 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-O 124.408 2.051 . . . . 10.0 115.215 -176.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.7 p -88.27 -0.81 57.55 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 109.291 -3.595 . . . . 10.0 113.119 -175.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.542 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.82 57.94 35.27 Favored Pre-proline 0 N--CA 1.445 -0.68 0 N-CA-C 105.92 -1.881 . . . . 10.0 105.92 174.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.491 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 3.0 Cg_endo -44.34 -55.8 2.97 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 124.173 3.249 . . . . 10.0 115.733 -175.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 m -50.98 -46.12 61.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.996 0.427 . . . . 10.0 109.949 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.444 ' CB ' ' HD3' ' A' ' 29' ' ' ARG . 1.6 tm? -70.37 -34.87 73.09 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.242 -1.022 . . . . 10.0 108.242 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.848 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 40.1 t -61.9 -37.83 86.06 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 107.099 -1.445 . . . . 10.0 107.099 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.03 -25.85 65.59 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 113.591 0.96 . . . . 10.0 113.591 -175.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.468 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -73.97 -24.12 59.57 Favored 'General case' 0 CA--C 1.493 -1.232 0 C-N-CA 116.418 -2.113 . . . . 10.0 109.272 179.253 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.607 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.2 m0 -57.21 -30.57 64.67 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 106.05 -1.833 . . . . 10.0 106.05 178.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -55.36 -47.56 75.58 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 123.774 1.749 . . . . 10.0 109.972 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -56.15 -34.48 66.19 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 110.419 -3.082 . . . . 10.0 112.451 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.06 -14.5 41.29 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 120.956 0.408 . . . . 10.0 110.635 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 36' ' ' TRP . 22.2 t -91.66 43.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 106.855 -1.535 . . . . 10.0 106.855 173.382 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.447 ' HD2' ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -56.46 14.21 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 113.485 -1.689 . . . . 10.0 115.477 -177.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.57 ' HD3' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -98.78 142.76 29.91 Favored 'General case' 0 C--N 1.313 -1.013 0 O-C-N 121.3 -0.875 . . . . 10.0 111.593 -179.356 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 2.8 tttt -54.31 -44.05 71.66 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.381 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.47 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -82.85 65.34 7.93 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.234 -0.894 . . . . 10.0 109.913 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.532 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 9.2 t80 -60.85 119.42 8.19 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 114.986 -1.007 . . . . 10.0 109.132 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.635 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -59.94 -172.07 0.04 OUTLIER Pre-proline 0 C--O 1.22 -0.473 0 CA-C-N 114.958 -1.019 . . . . 10.0 110.959 178.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.744 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 99.8 Cg_exo -44.5 175.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.363 1.292 0 C-N-CA 122.138 1.892 . . . . 10.0 111.964 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.484 ' HB ' ' HE3' ' A' ' 49' ' ' LYS . 11.8 p -97.36 161.61 13.71 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 103.29 -2.856 . . . . 10.0 103.29 172.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.576 ' HE2' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -27.77 -17.63 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 O-C-N 127.735 3.147 . . . . 10.0 117.868 175.087 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -73.78 -29.52 62.24 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 104.535 -2.394 . . . . 10.0 104.535 173.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.744 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 6.9 p -65.43 173.13 2.79 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 121.056 1.753 . . . . 10.0 108.797 173.507 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.617 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -109.65 163.61 13.32 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 114.818 -1.083 . . . . 10.0 110.148 -178.529 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.617 HD12 ' C ' ' A' ' 52' ' ' SER . 3.2 mp -131.79 158.48 43.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 N-CA-C 107.749 -1.204 . . . . 10.0 107.749 -177.14 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.556 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.3 p -106.36 156.33 18.62 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.778 1.172 . . . . 10.0 111.833 178.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.711 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.4 p -49.98 -40.45 44.24 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 118.294 2.701 . . . . 10.0 118.294 -173.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.533 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -55.13 -15.81 2.54 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 114.344 1.238 . . . . 10.0 114.344 -176.502 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.53 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 95.4 m-70 -85.21 -16.67 39.51 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 114.529 1.307 . . . . 10.0 114.529 -177.25 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.488 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -138.56 138.82 38.32 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 118.249 0.477 . . . . 10.0 110.956 -178.468 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -43.5 138.14 2.92 Favored Pre-proline 0 N--CA 1.429 -1.486 0 CA-C-N 114.597 -1.183 . . . . 10.0 111.041 179.186 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.549 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.9 Cg_endo -50.39 -28.39 20.91 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.936 2.424 . . . . 10.0 112.399 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.583 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 1.7 m-20 -60.06 -50.82 72.21 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 106.78 -1.563 . . . . 10.0 106.78 174.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.56 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -88.86 5.87 41.79 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 113.925 1.083 . . . . 10.0 113.925 -174.358 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.549 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -39.52 -56.9 1.55 Allowed 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 113.771 1.026 . . . . 10.0 113.771 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.36 -141.35 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -177.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -13.71 5.07 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.391 0.677 . . . . 10.0 112.584 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -82.73 5.8 20.18 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.088 -0.338 . . . . 10.0 110.088 178.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.834 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 3.9 t -70.49 -109.52 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.627 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.405 ' N ' ' OG ' ' A' ' 67' ' ' SER . 1.6 m120 -100.98 -69.13 0.79 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.384 0.513 . . . . 10.0 112.384 -178.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -99.42 -71.02 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.294 0.479 . . . . 10.0 112.294 -178.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -145.91 -2.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.407 0.521 . . . . 10.0 112.407 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.834 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -138.24 -163.95 1.54 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 118.748 -0.644 . . . . 10.0 109.755 -179.609 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.702 HD12 HD13 ' A' ' 71' ' ' LEU . 4.0 mp -64.39 -170.71 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 122.589 1.185 . . . . 10.0 109.534 -177.28 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.645 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 2.0 mmmm -87.51 102.66 14.79 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 102.595 -3.113 . . . . 10.0 102.595 170.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.542 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 4.6 pt-20 -49.92 -5.04 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 115.916 1.821 . . . . 10.0 115.916 -178.017 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -110.01 16.68 21.73 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.868 176.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.38 146.88 38.96 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 123.644 1.688 . . . . 10.0 109.717 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.437 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -148.58 151.01 35.09 Favored Pre-proline 0 N--CA 1.449 -0.482 0 CA-C-N 110.484 -3.053 . . . . 10.0 108.244 -177.583 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.544 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 2.1 Cg_endo -45.46 120.4 3.21 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 123.498 2.798 . . . . 10.0 107.537 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.03 -9.88 8.2 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 113.457 -1.701 . . . . 10.0 108.695 177.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.412 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.7 OUTLIER -94.6 6.74 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-N 115.402 -0.817 . . . . 10.0 111.1 -176.429 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.409 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 1.0 OUTLIER -40.7 -47.29 2.78 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.84 1.052 . . . . 10.0 113.84 -177.768 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.381 0 N-CA-C 110.286 -0.265 . . . . 10.0 110.286 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 . . . . . 0 N--CA 1.446 -0.674 0 N-CA-C 109.753 -0.462 . . . . 10.0 109.753 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.579 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 2.6 t -178.24 171.12 1.7 Allowed 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.071 0.462 . . . . 10.0 111.547 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.27 156.77 26.67 Favored 'General case' 0 C--N 1.339 0.138 0 N-CA-C 107.093 -1.447 . . . . 10.0 107.093 -176.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.649 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -67.96 3.82 1.41 Allowed 'General case' 0 C--N 1.349 0.553 0 CA-C-N 114.076 -1.42 . . . . 10.0 112.621 179.213 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.06 -149.19 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.064 0.765 . . . . 10.0 113.064 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.401 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 1.1 t80 -115.12 70.69 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.519 0.676 . . . . 10.0 109.935 -178.225 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.49 28.52 26.98 Favored Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 120.583 -0.818 . . . . 10.0 113.935 178.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.565 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 44.1 t -89.98 74.31 7.29 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.579 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 43.9 mttp -71.23 65.89 0.41 Allowed 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.497 -0.927 . . . . 10.0 108.497 176.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.61 31.09 0.6 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.848 -0.532 . . . . 10.0 110.951 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -23.6 134.32 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 O-C-N 125.077 1.486 . . . . 10.0 111.902 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.96 114.46 0.79 Allowed 'General case' 0 CA--C 1.508 -0.643 0 CA-C-O 122.271 1.034 . . . . 10.0 109.672 -177.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -141.73 112.54 7.26 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 104.719 -2.326 . . . . 10.0 104.719 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -20.35 64.3 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.453 -0.794 . . . . 10.0 109.885 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.45 -26.83 66.59 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.506 -1.225 . . . . 10.0 109.722 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.68 141.07 22.13 Favored Pre-proline 0 C--O 1.235 0.334 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 178.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -85.87 74.57 3.37 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 N-CA-C 116.276 1.606 . . . . 10.0 116.276 -176.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.42 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 3.7 m -145.84 144.86 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-O 121.154 0.502 . . . . 10.0 110.959 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.55 169.05 8.76 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 114.722 -1.126 . . . . 10.0 108.805 178.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -117.75 103.74 10.29 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 118.155 2.65 . . . . 10.0 118.155 -177.11 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.659 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -100.4 -174.93 2.78 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 114.631 1.345 . . . . 10.0 114.631 -171.242 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -125.8 164.83 19.83 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 103.976 -2.601 . . . . 10.0 103.976 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.828 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.5 m-85 -61.16 157.86 40.08 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 119.445 1.021 . . . . 10.0 110.882 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.592 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 89.2 Cg_endo -75.58 86.65 1.45 Allowed 'Trans proline' 0 CA--C 1.514 -0.494 0 C-N-CA 122.322 2.014 . . . . 10.0 107.343 176.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.1 mt -69.93 -35.29 74.42 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 112.664 -2.062 . . . . 10.0 114.232 -174.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.4 p -94.07 9.83 36.11 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 113.179 -1.828 . . . . 10.0 110.429 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.432 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -132.78 55.8 19.19 Favored Pre-proline 0 N--CA 1.445 -0.676 0 N-CA-C 106.481 -1.674 . . . . 10.0 106.481 175.031 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.541 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.5 Cg_endo -48.72 -52.04 9.3 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.564 2.843 . . . . 10.0 114.4 -176.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -53.29 -43.93 67.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.561 0.696 . . . . 10.0 109.632 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.42 HD21 ' O ' ' A' ' 76' ' ' ALA . 1.3 tm? -71.1 -33.78 70.49 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.89 -1.152 . . . . 10.0 107.89 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.828 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 42.2 t -63.48 -37.46 87.38 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 106.609 -1.626 . . . . 10.0 106.609 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -66.11 -26.3 67.39 Favored 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 113.191 0.811 . . . . 10.0 113.191 -176.538 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.464 ' HG2' ' H ' ' A' ' 35' ' ' GLU . 0.8 OUTLIER -75.31 -24.47 57.44 Favored 'General case' 0 CA--C 1.495 -1.166 0 C-N-CA 116.533 -2.067 . . . . 10.0 109.008 179.29 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.651 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.7 m0 -58.17 -29.18 65.4 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 105.566 -2.013 . . . . 10.0 105.566 178.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -56.45 -48.23 77.47 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-O 123.472 1.606 . . . . 10.0 109.677 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -56.38 -32.42 64.77 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 110.944 -2.844 . . . . 10.0 112.871 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.88 -15.22 39.71 Favored 'General case' 0 C--N 1.308 -1.226 0 C-N-CA 120.368 -0.533 . . . . 10.0 110.598 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 36' ' ' TRP . 6.3 t -93.44 39.03 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 108.205 -1.035 . . . . 10.0 108.205 174.22 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.99 14.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 116.062 1.875 . . . . 10.0 116.062 -177.045 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.412 ' HA ' ' HD2' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -97.62 155.35 17.02 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 121.305 -0.872 . . . . 10.0 111.426 -179.509 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -63.31 -41.9 98.96 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.492 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.81 62.46 6.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.428 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.629 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 2.3 t80 -61.96 124.79 21.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.365 -0.834 . . . . 10.0 109.541 179.086 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.649 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -64.11 -171.83 0.06 OUTLIER Pre-proline 0 CA--C 1.547 0.833 0 CA-C-N 114.633 -1.167 . . . . 10.0 111.02 179.123 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.773 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 79.7 Cg_exo -45.95 178.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 122.939 2.426 . . . . 10.0 112.68 178.055 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.1 p -80.15 -153.16 0.08 Allowed 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 103.951 -2.611 . . . . 10.0 103.951 173.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.574 ' HD3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -90.7 -4.72 56.52 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 112.277 -2.238 . . . . 10.0 113.771 -174.821 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -78.36 -27.71 46.99 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 105.731 -1.951 . . . . 10.0 105.731 175.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.773 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 4.0 p -64.46 174.14 1.82 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 121.12 1.782 . . . . 10.0 107.725 173.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.639 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.29 165.11 11.87 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 114.803 -1.09 . . . . 10.0 110.31 -178.426 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.639 HD12 ' C ' ' A' ' 52' ' ' SER . 3.4 mp -134.14 159.28 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 N-CA-C 108.774 -0.824 . . . . 10.0 108.774 -176.34 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.526 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 16.3 p -106.9 159.58 16.15 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 119.941 1.246 . . . . 10.0 111.887 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.601 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 5.4 p -55.16 -40.99 71.28 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 118.894 2.924 . . . . 10.0 118.894 -172.283 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.565 ' OE2' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -55.86 -14.4 2.39 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 114.695 1.368 . . . . 10.0 114.695 -175.855 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.516 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 91.0 m-70 -85.78 -16.99 37.08 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 114.458 1.281 . . . . 10.0 114.458 -177.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.19 138.95 37.36 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 118.576 0.625 . . . . 10.0 111.086 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p -42.77 138.57 2.24 Favored Pre-proline 0 N--CA 1.434 -1.24 0 O-C-N 124.682 1.239 . . . . 10.0 111.188 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.629 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 7.5 Cg_endo -49.16 -30.04 17.98 Favored 'Trans proline' 0 N--CA 1.449 -1.109 0 C-N-CA 122.99 2.46 . . . . 10.0 112.65 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.477 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -60.05 -50.72 72.61 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 113.559 -1.655 . . . . 10.0 107.39 174.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.715 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -90.34 7.61 37.65 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 -174.507 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.629 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -41.4 -56.54 2.46 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.879 -1.055 . . . . 10.0 113.249 179.731 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -175.75 -139.88 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 112.015 0.376 . . . . 10.0 112.015 -177.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.448 ' HG2' ' H ' ' A' ' 65' ' ' ARG . 6.8 ptm180 -61.0 -12.73 12.42 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.017 0.527 . . . . 10.0 112.354 -178.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.59 6.11 18.72 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.791 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 1.2 t -69.27 -106.33 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.321 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.484 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -101.94 -62.59 1.24 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.346 0.498 . . . . 10.0 112.346 -178.517 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -108.3 -70.97 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.738 -0.665 . . . . 10.0 112.435 -177.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.5 1.06 0.8 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.647 0.61 . . . . 10.0 112.647 -178.398 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.878 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -142.78 -166.14 2.22 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 -179.789 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.878 HD12 HD13 ' A' ' 71' ' ' LEU . 1.9 mp -63.08 -174.07 0.07 Allowed 'General case' 0 N--CA 1.482 1.146 0 CA-C-O 122.576 1.179 . . . . 10.0 109.518 -176.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.599 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 3.4 mmmm -87.54 101.44 13.62 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 102.651 -3.092 . . . . 10.0 102.651 170.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.432 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -49.02 -5.49 0.02 OUTLIER 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 116.346 1.98 . . . . 10.0 116.346 -177.697 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -109.13 19.93 18.93 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 121.297 0.57 . . . . 10.0 110.08 176.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.456 ' HB3' ' OG ' ' A' ' 62' ' ' SER . . . -142.87 146.36 34.01 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 123.307 1.527 . . . . 10.0 110.407 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.538 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -146.7 151.78 43.34 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 111.487 -2.597 . . . . 10.0 108.716 -177.672 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.538 ' HD2' HG23 ' A' ' 77' ' ' VAL . 1.7 Cg_endo -45.92 120.81 3.76 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 123.514 2.809 . . . . 10.0 106.662 177.044 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.9 t -123.63 -10.36 7.86 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 113.325 -1.762 . . . . 10.0 109.057 178.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.443 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -95.63 6.19 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.504 -177.028 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.423 ' O ' HD23 ' A' ' 82' ' ' LEU . 0.7 OUTLIER -40.08 -48.87 2.53 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.176 0.806 . . . . 10.0 113.176 -178.182 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 N-CA-C 109.816 -0.439 . . . . 10.0 109.816 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 . . . . . 0 N--CA 1.448 -0.558 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.505 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 2.0 t -179.33 170.41 1.37 Allowed 'General case' 0 C--O 1.239 0.503 0 O-C-N 123.406 0.441 . . . . 10.0 110.441 178.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.25 178.27 7.23 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 123.061 1.41 . . . . 10.0 108.07 -177.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 t -82.77 -13.35 56.43 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 111.509 -2.587 . . . . 10.0 110.89 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.75 166.9 18.27 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 106.037 -1.838 . . . . 10.0 106.037 176.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.442 ' CD1' ' HB2' ' A' ' 42' ' ' ARG . 15.8 p90 -101.54 100.11 10.5 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 122.25 1.024 . . . . 10.0 113.336 -175.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.78 -13.12 10.76 Favored Glycine 0 C--N 1.297 -1.617 0 C-N-CA 119.837 -1.173 . . . . 10.0 114.52 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.513 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 42.6 t -88.08 76.17 8.59 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 113.686 0.995 . . . . 10.0 113.686 -177.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.505 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 94.9 mttt -74.93 66.15 1.51 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.467 -1.679 . . . . 10.0 106.467 174.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.491 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 0.3 OUTLIER -82.24 43.65 0.81 Allowed 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 118.379 0.536 . . . . 10.0 111.607 -178.563 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -35.82 138.18 0.19 Allowed 'General case' 0 C--N 1.302 -1.458 0 O-C-N 124.624 1.202 . . . . 10.0 111.114 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.443 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -45.81 108.86 0.14 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.844 0.683 . . . . 10.0 112.844 -178.063 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.471 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 18.5 t0 -132.84 108.85 9.23 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 106.187 -1.782 . . . . 10.0 106.187 177.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.432 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -61.12 -23.27 65.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.791 0.805 . . . . 10.0 111.325 -178.9 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.423 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -63.7 -27.42 69.2 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.177 -1.374 . . . . 10.0 109.527 178.162 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.642 ' HZ2' HG22 ' A' ' 20' ' ' VAL . 3.7 pttp -104.91 146.07 31.94 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 114.8 -1.091 . . . . 10.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -89.47 78.22 0.99 Allowed 'Trans proline' 0 CA--C 1.535 0.555 0 N-CA-C 117.88 2.223 . . . . 10.0 117.88 -176.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.642 HG22 ' HZ2' ' A' ' 18' ' ' LYS . 0.9 OUTLIER -146.8 145.77 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 O-C-N 121.887 -0.508 . . . . 10.0 111.007 176.496 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.49 169.68 8.44 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.378 -0.828 . . . . 10.0 108.879 177.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.443 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -116.24 102.56 9.68 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 118.025 2.602 . . . . 10.0 118.025 -176.281 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.739 ' CE1' ' HE2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -106.25 160.36 15.4 Favored 'General case' 0 C--O 1.194 -1.862 0 N-CA-C 115.161 1.541 . . . . 10.0 115.161 -170.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.72 164.87 12.58 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 119.149 -1.02 . . . . 10.0 111.877 177.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.829 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.7 m-85 -59.44 156.39 31.38 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 118.422 0.555 . . . . 10.0 110.701 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.681 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 68.8 Cg_endo -78.02 67.76 7.99 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.823 2.349 . . . . 10.0 108.949 177.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.549 HD21 ' HG3' ' A' ' 49' ' ' LYS . 8.4 mt -50.16 -37.52 35.01 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-N 112.44 -2.163 . . . . 10.0 115.653 -177.269 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.5 p -85.01 -2.0 57.46 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 108.853 -3.794 . . . . 10.0 114.057 -175.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.524 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 3.5 ttm105 -133.59 63.72 65.35 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 105.531 -2.026 . . . . 10.0 105.531 173.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.556 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 4.3 Cg_endo -46.37 -52.6 7.08 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.738 2.959 . . . . 10.0 115.458 -175.234 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -51.99 -45.44 64.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.053 0.454 . . . . 10.0 110.19 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.524 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 1.9 tm? -69.84 -33.36 72.18 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.104 -1.073 . . . . 10.0 108.104 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.829 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 51.3 t -63.61 -36.72 84.75 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 107.98 -1.119 . . . . 10.0 107.98 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.64 -26.18 66.1 Favored 'General case' 0 N--CA 1.424 -1.758 0 N-CA-C 113.724 1.009 . . . . 10.0 113.724 -175.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.47 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -75.91 -18.44 59.37 Favored 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 116.212 -2.195 . . . . 10.0 109.346 179.746 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.734 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.6 m0 -61.2 -29.91 70.1 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 106.326 -1.731 . . . . 10.0 106.326 177.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -56.63 -39.06 72.99 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 124.151 1.929 . . . . 10.0 111.458 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.07 -29.76 68.79 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 109.732 -3.395 . . . . 10.0 109.838 -175.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.88 -15.34 32.38 Favored 'General case' 0 C--N 1.309 -1.161 0 C-N-CA 120.334 -0.546 . . . . 10.0 110.338 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 36' ' ' TRP . 4.9 t -91.53 43.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.172 -1.048 . . . . 10.0 108.172 175.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.06 14.37 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.533 1.309 . . . . 10.0 114.533 -178.462 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.708 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 28.5 tpt180 -86.27 141.59 29.16 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 122.235 -0.29 . . . . 10.0 111.191 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.708 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 27.0 ttpp -71.32 161.47 31.02 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 105.942 -1.873 . . . . 10.0 105.942 175.191 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.431 ' OD1' ' HG2' ' A' ' 43' ' ' LYS . 0.3 OUTLIER 58.76 36.42 24.81 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.694 -0.854 . . . . 10.0 108.694 -179.315 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.666 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 1.9 t80 -28.58 129.65 0.07 Allowed 'General case' 0 C--N 1.349 0.546 0 O-C-N 125.023 1.452 . . . . 10.0 111.968 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.666 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -57.0 -172.57 0.03 OUTLIER Pre-proline 0 C--O 1.221 -0.445 0 CA-C-N 114.343 -1.299 . . . . 10.0 110.72 178.742 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.772 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 87.4 Cg_exo -46.3 173.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.634 1.556 . . . . 10.0 111.511 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.442 ' HB ' ' HD2' ' A' ' 49' ' ' LYS . 38.3 p -81.35 -153.24 0.1 Allowed 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 103.236 -2.875 . . . . 10.0 103.236 173.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.682 ' HD2' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -90.11 -5.87 56.05 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 112.056 -2.338 . . . . 10.0 113.781 -174.052 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -76.52 -29.51 56.78 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 105.473 -2.047 . . . . 10.0 105.473 174.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.772 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 11.3 p -64.03 172.67 2.23 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 118.023 -1.471 . . . . 10.0 108.209 173.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.577 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -110.78 161.45 15.77 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 114.598 -1.183 . . . . 10.0 109.399 -179.18 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.577 HD12 ' C ' ' A' ' 52' ' ' SER . 3.0 mp -129.78 159.47 41.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 108.076 -1.083 . . . . 10.0 108.076 -175.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.566 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.5 p -106.06 157.39 17.57 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 119.658 1.117 . . . . 10.0 111.871 178.287 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.838 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 0.1 OUTLIER -55.84 -36.85 67.98 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 119.298 3.073 . . . . 10.0 119.298 -172.802 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.547 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -56.19 -15.04 3.21 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 113.137 0.792 . . . . 10.0 113.137 -176.595 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 89.2 m-70 -86.77 -16.85 35.07 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 114.039 1.125 . . . . 10.0 114.039 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.739 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -120.34 173.81 6.91 Favored 'General case' 0 CA--C 1.497 -1.07 0 CA-C-O 121.155 0.503 . . . . 10.0 110.003 -178.848 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.78 139.5 37.59 Favored Pre-proline 0 N--CA 1.421 -1.895 0 N-CA-C 108.252 -1.018 . . . . 10.0 108.252 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.603 ' O ' ' HB2' ' A' ' 63' ' ' PHE . 6.8 Cg_endo -47.83 -32.84 18.12 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 123.096 2.531 . . . . 10.0 111.891 179.023 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.584 ' O ' ' HA ' ' A' ' 67' ' ' SER . 0.9 OUTLIER -57.5 -49.48 76.18 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 114.204 -1.362 . . . . 10.0 109.833 177.359 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.572 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -91.56 6.89 43.9 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 114.068 -1.424 . . . . 10.0 114.186 -174.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.838 ' CE1' ' HB3' ' A' ' 55' ' ' SER . 0.4 OUTLIER -37.7 -64.14 0.41 Allowed 'General case' 0 CA--C 1.56 1.335 0 CA-C-N 113.755 -1.566 . . . . 10.0 115.178 179.213 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.654 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -174.91 -129.45 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 119.456 1.025 . . . . 10.0 113.002 -177.774 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.588 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -55.52 -34.14 64.39 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.48 -0.762 . . . . 10.0 110.527 179.702 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 62.0 mp0 -84.7 6.45 24.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.129 -0.941 . . . . 10.0 111.261 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.797 ' OG ' ' HD2' ' A' ' 73' ' ' LYS . 4.3 t -72.3 -91.42 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.072 -0.513 . . . . 10.0 112.046 -179.084 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -99.93 -72.02 0.68 Allowed 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.393 0.616 . . . . 10.0 110.578 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.474 ' CG ' ' H ' ' A' ' 70' ' ' LYS . 18.7 p-10 -110.56 -65.35 1.17 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.588 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 5.3 tttt -146.44 1.8 0.83 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.659 -0.867 . . . . 10.0 108.659 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.836 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -143.09 -170.19 3.2 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.969 -1.014 . . . . 10.0 109.461 -179.52 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.836 HD12 HD13 ' A' ' 71' ' ' LEU . 0.4 OUTLIER -63.27 -178.65 0.26 Allowed 'General case' 0 N--CA 1.477 0.88 0 CA-C-O 122.337 1.065 . . . . 10.0 110.241 -175.751 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.797 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 1.1 mmmm -88.4 112.2 22.63 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 104.602 -2.37 . . . . 10.0 104.602 172.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -49.93 -11.46 0.06 Allowed 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 115.358 1.614 . . . . 10.0 115.358 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -109.71 22.73 15.34 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.151 -0.931 . . . . 10.0 111.332 176.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.401 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -142.0 145.57 34.58 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 123.352 1.549 . . . . 10.0 109.777 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.506 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -150.67 148.85 24.45 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 111.232 -2.713 . . . . 10.0 108.046 -178.422 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.557 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 2.3 Cg_endo -46.59 121.03 4.37 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.631 2.887 . . . . 10.0 108.376 177.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 t -124.75 -10.24 7.28 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 113.961 -1.472 . . . . 10.0 110.026 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -89.26 5.04 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 115.513 -0.767 . . . . 10.0 112.553 -175.435 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.589 ' HE2' HG22 ' A' ' 40' ' ' VAL . 6.0 m-30 -40.64 -69.19 0.14 Allowed 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.623 0.971 . . . . 10.0 113.623 -177.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 82' ' ' LEU . 6.7 mt . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 120.884 0.373 . . . . 10.0 110.788 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 . . . . . 0 N--CA 1.444 -0.765 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.541 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -179.84 173.45 1.0 Allowed 'General case' 0 C--O 1.239 0.526 0 O-C-N 123.457 0.473 . . . . 10.0 110.45 179.456 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.689 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 4.3 m -79.99 177.22 9.08 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 122.796 1.284 . . . . 10.0 107.776 -177.271 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.542 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 30.6 t -82.69 -1.72 52.08 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 111.414 -2.63 . . . . 10.0 110.941 -178.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.451 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . . . -57.99 -149.92 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.98 0.895 . . . . 10.0 113.148 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -113.12 72.34 0.77 Allowed 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.1 -0.704 . . . . 10.0 109.1 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.88 28.07 29.9 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.284 -0.96 . . . . 10.0 113.993 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.528 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 2.0 t -79.39 75.46 5.98 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 117.385 0.592 . . . . 10.0 112.17 -178.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.541 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 18.0 mttt -73.75 65.81 1.04 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.197 -1.038 . . . . 10.0 108.197 176.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.46 ' OD1' ' HE2' ' A' ' 18' ' ' LYS . 2.2 m-80 -93.98 26.68 3.1 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.799 -0.563 . . . . 10.0 112.044 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -23.44 133.63 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 O-C-N 124.784 1.303 . . . . 10.0 111.521 -179.392 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -37.9 110.45 0.13 Allowed 'General case' 0 C--N 1.349 0.552 0 CA-C-O 122.079 0.942 . . . . 10.0 111.314 -177.11 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.416 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 15.5 t70 -137.2 109.85 7.52 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 105.307 -2.108 . . . . 10.0 105.307 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -19.38 65.95 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.218 -0.901 . . . . 10.0 110.744 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -28.51 67.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.485 -1.234 . . . . 10.0 108.997 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.46 ' HE2' ' OD1' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -96.92 149.49 35.79 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 107.528 -1.286 . . . . 10.0 107.528 178.056 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -91.08 75.55 0.71 Allowed 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 121.381 1.387 . . . . 10.0 115.543 -177.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.517 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 2.6 m -146.35 146.32 19.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 CA-C-O 121.469 0.652 . . . . 10.0 111.514 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 p -104.14 168.4 9.13 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 114.637 -1.165 . . . . 10.0 108.764 178.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -115.31 102.21 9.65 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 117.509 2.411 . . . . 10.0 117.509 -177.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.481 ' CD2' ' O ' ' A' ' 53' ' ' ILE . 0.1 OUTLIER -102.06 -173.73 2.41 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 114.613 1.338 . . . . 10.0 114.613 -170.282 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -126.57 165.34 19.35 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 104.881 -2.266 . . . . 10.0 104.881 -177.231 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.878 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.5 m-85 -60.86 156.76 44.54 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 119.333 0.969 . . . . 10.0 111.179 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.66 ' HB3' HD13 ' A' ' 72' ' ' LEU . 78.2 Cg_endo -76.41 86.31 1.58 Allowed 'Trans proline' 0 CA--C 1.513 -0.552 0 C-N-CA 122.581 2.187 . . . . 10.0 107.282 176.357 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 27' ' ' LEU . 16.7 mt -69.88 -37.11 75.93 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 112.798 -2.001 . . . . 10.0 114.723 -174.018 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -93.01 9.14 36.97 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 113.145 -1.843 . . . . 10.0 111.272 -176.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.498 ' HD3' ' CB ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -132.99 56.77 23.72 Favored Pre-proline 0 N--CA 1.439 -1.001 0 N-CA-C 105.995 -1.854 . . . . 10.0 105.995 174.211 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.544 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 9.4 Cg_endo -49.78 -49.27 16.39 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.883 3.056 . . . . 10.0 115.219 -175.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.451 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -54.77 -43.52 72.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 118.484 0.583 . . . . 10.0 109.431 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.498 ' CB ' ' HD3' ' A' ' 29' ' ' ARG . 1.3 tm? -70.05 -34.84 73.74 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.943 -1.132 . . . . 10.0 107.943 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.878 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 49.1 t -62.48 -37.04 84.42 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 106.962 -1.496 . . . . 10.0 106.962 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.11 -25.13 66.05 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 113.568 0.951 . . . . 10.0 113.568 -176.626 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -76.68 -21.43 55.4 Favored 'General case' 0 CA--C 1.493 -1.244 0 C-N-CA 116.154 -2.218 . . . . 10.0 108.57 179.463 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.693 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.8 m0 -58.49 -28.07 65.03 Favored 'General case' 0 N--CA 1.438 -1.032 0 N-CA-C 105.762 -1.94 . . . . 10.0 105.762 177.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -54.94 -48.61 72.94 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-O 123.441 1.591 . . . . 10.0 109.573 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.45 -33.66 59.99 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 111.021 -2.809 . . . . 10.0 113.183 179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.42 -15.42 37.8 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.639 -0.424 . . . . 10.0 110.218 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 36' ' ' TRP . 6.8 t -89.91 45.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 106.998 -1.482 . . . . 10.0 106.998 174.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.79 13.99 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 113.42 -1.718 . . . . 10.0 115.058 -178.024 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.441 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -103.32 139.97 38.03 Favored 'General case' 0 C--N 1.316 -0.882 0 O-C-N 121.562 -0.711 . . . . 10.0 111.893 -179.016 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.614 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER -57.81 -36.28 72.01 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.252 -0.885 . . . . 10.0 109.884 179.511 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.614 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 11.0 p30 -85.47 61.41 6.84 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.614 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 7.7 t80 -56.34 124.44 18.07 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.798 -1.092 . . . . 10.0 110.186 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.689 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -64.1 -172.64 0.07 OUTLIER Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 114.076 -1.42 . . . . 10.0 110.731 179.167 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.771 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 86.6 Cg_exo -46.3 175.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.133 1.889 . . . . 10.0 112.141 178.23 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.415 ' HB ' ' HE3' ' A' ' 49' ' ' LYS . 33.4 p -82.29 -152.78 0.11 Allowed 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 104.373 -2.454 . . . . 10.0 104.373 173.305 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.611 ' HD3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -89.97 -3.63 57.91 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 112.353 -2.203 . . . . 10.0 113.92 -173.858 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -79.1 -30.03 43.61 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 105.638 -1.986 . . . . 10.0 105.638 174.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.771 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 11.8 p -63.31 173.38 1.56 Allowed 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 120.794 1.634 . . . . 10.0 108.457 173.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.661 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.39 163.32 13.51 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 114.206 -1.361 . . . . 10.0 110.81 -177.751 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.661 HD12 ' C ' ' A' ' 52' ' ' SER . 3.2 mp -133.74 158.15 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 108.586 -0.894 . . . . 10.0 108.586 -176.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.534 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 14.1 p -106.13 159.99 15.66 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.643 1.111 . . . . 10.0 111.888 178.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.517 ' OG ' ' HB ' ' A' ' 20' ' ' VAL . 0.3 OUTLIER -56.13 -36.18 67.96 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 119.114 3.005 . . . . 10.0 119.114 -172.764 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.534 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -55.43 -15.86 3.1 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 114.294 1.22 . . . . 10.0 114.294 -176.674 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.595 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 91.4 m-70 -86.9 -18.71 30.18 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 114.626 1.343 . . . . 10.0 114.626 -176.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.42 137.0 38.34 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-N 118.644 0.656 . . . . 10.0 111.263 -177.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.7 p -43.19 138.88 2.47 Favored Pre-proline 0 N--CA 1.433 -1.286 0 O-C-N 124.604 1.19 . . . . 10.0 111.358 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.519 ' HA ' ' CG ' ' A' ' 63' ' ' PHE . 8.8 Cg_endo -50.06 -29.28 21.42 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 122.85 2.366 . . . . 10.0 111.961 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.469 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 2.1 m-20 -59.82 -51.46 69.64 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 113.815 -1.539 . . . . 10.0 107.55 174.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.6 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -89.1 6.54 39.41 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 113.935 1.087 . . . . 10.0 113.935 -175.002 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.519 ' CG ' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -40.73 -59.05 1.49 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.753 -1.112 . . . . 10.0 113.795 179.372 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.472 ' HE3' ' OE2' ' A' ' 66' ' ' GLU . 29.2 pttt -173.74 -142.72 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -176.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.472 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -57.12 -12.98 2.49 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.515 0.932 . . . . 10.0 113.515 -178.8 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.472 ' OE2' ' HE3' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -82.95 5.45 21.94 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.209 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.804 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 3.0 t -71.42 -106.16 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.835 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.445 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -98.74 -71.51 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.942 0.401 . . . . 10.0 111.311 -177.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -103.5 -70.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.169 -0.468 . . . . 10.0 111.204 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -145.14 1.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.386 0.513 . . . . 10.0 112.386 -177.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.835 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -140.8 -165.51 1.96 Allowed 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 118.493 -0.765 . . . . 10.0 110.163 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.835 HD12 HD13 ' A' ' 71' ' ' LEU . 3.2 mp -62.47 -172.01 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 123.063 1.411 . . . . 10.0 110.637 -175.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.637 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 5.1 mmmm -87.92 101.98 14.26 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 102.795 -3.039 . . . . 10.0 102.795 170.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.494 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -48.23 -7.42 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 116.308 1.966 . . . . 10.0 116.308 -178.136 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -109.56 16.38 22.25 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-O 121.012 0.434 . . . . 10.0 110.973 175.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.448 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -137.63 147.47 44.99 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 123.218 1.485 . . . . 10.0 110.171 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.565 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -148.79 151.22 34.82 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 111.364 -2.653 . . . . 10.0 108.549 -177.449 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.595 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 2.8 Cg_endo -49.17 123.06 9.45 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.84 2.36 . . . . 10.0 107.258 176.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -124.71 -9.47 7.31 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 113.626 -1.625 . . . . 10.0 108.805 176.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.43 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -91.54 6.81 5.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.673 -175.719 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.615 ' HE2' HG22 ' A' ' 40' ' ' VAL . 2.2 m-30 -39.72 -46.13 1.83 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.943 1.09 . . . . 10.0 113.943 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 . . . . . 0 C--O 1.236 0.385 0 N-CA-C 110.679 -0.119 . . . . 10.0 110.679 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.574 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 3.2 t -179.06 168.35 1.57 Allowed 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 121.229 0.538 . . . . 10.0 111.573 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.575 ' HG ' ' HG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -77.77 160.35 28.44 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 107.017 -1.475 . . . . 10.0 107.017 -176.399 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.628 ' HA ' ' HB3' ' A' ' 46' ' ' LYS . 1.5 m -69.22 3.71 2.04 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 113.252 -1.795 . . . . 10.0 113.147 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' A' ' 81' ' ' PHE . . . -59.09 -146.23 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 121.742 0.782 . . . . 10.0 110.364 176.235 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.445 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 10.9 p90 -135.68 68.99 1.44 Allowed 'General case' 0 C--N 1.31 -1.147 0 O-C-N 120.649 -1.282 . . . . 10.0 108.375 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.48 6.49 8.02 Favored Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 118.57 -1.776 . . . . 10.0 115.144 178.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.514 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 49.5 t -91.21 73.33 6.25 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 113.374 0.879 . . . . 10.0 113.374 -177.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.574 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 8.5 mmmt -73.53 65.82 0.96 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.606 -1.257 . . . . 10.0 107.606 176.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.09 35.04 0.85 Allowed 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.719 -0.613 . . . . 10.0 111.851 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -24.81 135.7 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 O-C-N 124.929 1.393 . . . . 10.0 112.404 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.591 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -40.2 112.09 0.25 Allowed 'General case' 0 N--CA 1.478 0.96 0 CA-C-O 121.754 0.787 . . . . 10.0 110.842 -178.268 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.517 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 15.4 t0 -133.57 106.2 7.29 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 107.25 -1.389 . . . . 10.0 107.25 177.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -59.16 -15.4 14.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.843 0.83 . . . . 10.0 111.013 179.862 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.402 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 11.1 m-20 -76.92 -24.19 52.45 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.557 -1.201 . . . . 10.0 109.35 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -101.99 150.31 37.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 107.502 -1.296 . . . . 10.0 107.502 179.216 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -90.73 74.06 0.95 Allowed 'Trans proline' 0 N--CA 1.46 -0.5 0 N-CA-C 115.898 1.461 . . . . 10.0 115.898 -178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.514 HG13 ' HG3' ' A' ' 18' ' ' LYS . 0.9 OUTLIER -146.39 149.24 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-O 121.242 0.544 . . . . 10.0 112.162 176.806 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.461 ' H ' ' HG ' ' A' ' 55' ' ' SER . 2.5 p -111.66 169.3 8.92 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 108.168 -1.049 . . . . 10.0 108.168 177.387 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.591 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -113.7 103.76 11.55 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 117.503 2.409 . . . . 10.0 117.503 -176.143 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.566 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -107.76 159.2 16.67 Favored 'General case' 0 C--O 1.199 -1.598 0 N-CA-C 114.645 1.35 . . . . 10.0 114.645 -171.503 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 12.2 mtmm -95.01 165.48 12.41 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 118.289 -1.364 . . . . 10.0 111.266 178.004 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.92 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 2.2 m-85 -58.24 157.98 15.49 Favored Pre-proline 0 N--CA 1.469 0.496 0 CA-C-N 118.812 0.733 . . . . 10.0 111.254 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.587 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 98.5 Cg_endo -74.51 85.6 1.43 Allowed 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.887 2.391 . . . . 10.0 107.56 176.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -70.29 -34.83 73.23 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 112.351 -2.204 . . . . 10.0 114.999 -173.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 p -93.65 8.78 39.59 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 113.521 -1.672 . . . . 10.0 111.745 -176.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.51 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 3.8 ttm105 -135.03 63.22 56.54 Favored Pre-proline 0 N--CA 1.445 -0.715 0 N-CA-C 106.059 -1.83 . . . . 10.0 106.059 173.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.43 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.5 Cg_endo -50.19 -50.75 12.55 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.512 2.808 . . . . 10.0 114.324 -175.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -48.17 51.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.416 0.627 . . . . 10.0 109.346 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.51 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 2.2 tm? -69.17 -34.6 75.21 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.92 -1.036 . . . . 10.0 109.101 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.92 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 17.0 t -62.39 -36.75 83.27 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 107.893 -1.151 . . . . 10.0 107.893 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -68.89 -24.75 64.36 Favored 'General case' 0 N--CA 1.424 -1.742 0 N-CA-C 113.442 0.905 . . . . 10.0 113.442 -175.837 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.478 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -74.96 -24.62 58.49 Favored 'General case' 0 CA--C 1.494 -1.18 0 C-N-CA 115.557 -2.457 . . . . 10.0 108.873 178.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.72 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.0 m0 -57.64 -29.71 64.79 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 105.281 -2.118 . . . . 10.0 105.281 177.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -53.99 -50.72 65.93 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 124.115 1.912 . . . . 10.0 110.085 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.85 -33.95 62.36 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 109.944 -3.298 . . . . 10.0 112.522 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.29 -13.9 42.39 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 120.174 -0.61 . . . . 10.0 110.829 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.862 HG22 ' HE2' ' A' ' 81' ' ' PHE . 9.9 t -92.75 33.33 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-O 122.028 0.918 . . . . 10.0 108.527 173.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.05 13.6 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.523 1.675 . . . . 10.0 115.523 -176.56 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.24 157.44 25.19 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 121.549 -0.719 . . . . 10.0 110.939 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -57.08 -51.51 68.99 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.307 0.575 . . . . 10.0 110.239 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.17 64.89 8.82 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.605 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.638 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 1.1 t80 -52.46 118.69 3.76 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 177.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.638 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 1.2 tttp -63.02 -170.93 0.04 OUTLIER Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.503 1.121 . . . . 10.0 110.949 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.546 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 51.3 Cg_exo -43.67 175.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 123.019 2.479 . . . . 10.0 114.309 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.5 p -84.81 -153.62 0.16 Allowed 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 102.773 -3.047 . . . . 10.0 102.773 172.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.542 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.28 -4.28 57.25 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 111.222 -2.717 . . . . 10.0 113.983 -173.293 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -80.1 -29.04 38.98 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 105.578 -2.008 . . . . 10.0 105.578 174.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.546 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 0.9 OUTLIER -65.25 171.24 3.94 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 120.477 1.489 . . . . 10.0 108.843 174.003 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.481 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.77 161.18 15.67 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.016 -0.993 . . . . 10.0 109.802 -178.213 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.732 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.2 mp -129.02 156.58 41.73 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 CA-C-N 113.956 -1.475 . . . . 10.0 108.627 -175.04 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.575 ' HG ' ' HG ' ' A' ' 5' ' ' CYS . 12.9 p -105.26 154.42 20.27 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.742 0.782 . . . . 10.0 110.279 178.006 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.461 ' HG ' ' H ' ' A' ' 21' ' ' SER . 0.0 OUTLIER -55.38 -35.35 65.19 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 119.228 3.047 . . . . 10.0 119.228 -172.034 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.514 ' OE2' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -55.98 -15.61 3.72 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 113.767 1.025 . . . . 10.0 113.767 -177.339 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.484 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 89.3 m-70 -80.79 -18.7 46.75 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 114.214 1.19 . . . . 10.0 114.214 -177.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.438 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -138.19 133.55 33.41 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 -178.628 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.3 p -39.48 140.01 0.82 Allowed Pre-proline 0 CA--C 1.499 -0.986 0 O-C-N 124.969 1.418 . . . . 10.0 110.86 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -51.23 -29.9 31.09 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.514 2.143 . . . . 10.0 111.971 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.425 ' OD2' ' HB ' ' A' ' 59' ' ' THR . 0.9 OUTLIER -61.39 -49.44 76.91 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 105.451 -2.055 . . . . 10.0 105.451 174.108 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.824 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 4.1 m -82.68 6.37 18.14 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 115.607 1.706 . . . . 10.0 115.607 -173.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -44.87 -76.07 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 114.291 -1.322 . . . . 10.0 114.417 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -166.92 -141.5 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.261 1.208 . . . . 10.0 114.261 -176.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.29 -18.86 0.68 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.081 1.352 . . . . 10.0 114.186 -177.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -77.35 5.93 7.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.068 0.461 . . . . 10.0 109.794 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.819 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 13.7 t -66.37 -111.91 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.331 -0.85 . . . . 10.0 112.222 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -100.46 -67.58 0.85 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.941 0.348 . . . . 10.0 111.941 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.421 ' CG ' ' N ' ' A' ' 70' ' ' LYS . 1.4 p-10 -103.4 -66.35 0.95 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 120.473 -0.491 . . . . 10.0 112.279 -179.092 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.421 ' N ' ' CG ' ' A' ' 69' ' ' ASN . 26.3 mmtm -147.95 -2.41 0.54 Allowed 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 113.864 1.061 . . . . 10.0 113.864 -177.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.819 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -140.87 -159.21 0.93 Allowed 'General case' 0 C--O 1.207 -1.184 0 C-N-CA 120.094 -0.643 . . . . 10.0 111.215 -177.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.784 HD12 HD13 ' A' ' 71' ' ' LEU . 1.2 mp -70.61 -167.49 0.19 Allowed 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 123.431 1.586 . . . . 10.0 110.302 -177.399 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.824 ' CD ' ' HA ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -90.13 102.84 15.55 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 111.68 -2.509 . . . . 10.0 105.212 172.286 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.485 ' HB2' ' NE ' ' A' ' 29' ' ' ARG . 4.4 tt0 -47.08 -10.14 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 115.903 1.816 . . . . 10.0 115.903 -179.172 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -109.46 18.74 20.06 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.567 -0.742 . . . . 10.0 111.859 175.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.406 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -141.58 148.35 39.13 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 123.82 1.771 . . . . 10.0 110.845 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.452 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -152.8 150.04 23.56 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 110.075 -3.239 . . . . 10.0 108.96 -176.617 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.559 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 0.9 OUTLIER -44.92 124.74 6.03 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.904 3.069 . . . . 10.0 108.764 176.809 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 77' ' ' VAL . 30.6 p -124.73 -11.78 7.19 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 113.754 -1.566 . . . . 10.0 110.067 177.368 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.471 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 1.7 mm -90.46 9.15 3.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 115.579 -0.737 . . . . 10.0 112.363 -174.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.862 ' HE2' HG22 ' A' ' 40' ' ' VAL . 3.1 m-30 -38.89 -40.87 0.69 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.376 1.251 . . . . 10.0 114.376 -177.249 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.445 ' HB2' ' CE1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 CA-C-O 120.821 0.343 . . . . 10.0 110.576 179.444 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 108.847 -0.797 . . . . 10.0 108.847 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.582 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -177.51 168.68 2.22 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.206 -0.906 . . . . 10.0 110.921 178.746 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.451 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 3.8 m -78.57 175.44 10.36 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 123.052 1.406 . . . . 10.0 107.923 -177.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.578 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 33.0 t -81.36 -3.83 53.88 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 111.685 -2.507 . . . . 10.0 111.461 -178.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.48 -148.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.825 0.821 . . . . 10.0 112.839 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.408 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -114.71 68.78 0.7 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 -179.43 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.91 36.52 7.71 Favored Glycine 0 N--CA 1.435 -1.416 0 C-N-CA 119.834 -1.174 . . . . 10.0 114.988 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.531 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 4.5 t -90.04 75.52 7.11 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.591 0.71 . . . . 10.0 112.349 -178.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.582 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 17.4 mttt -72.93 60.73 0.54 Allowed 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 177.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.44 ' OD1' ' HE2' ' A' ' 18' ' ' LYS . 1.1 m-80 -90.31 30.39 1.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.706 -0.621 . . . . 10.0 111.163 -179.316 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -27.14 135.91 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 O-C-N 124.963 1.414 . . . . 10.0 111.174 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -43.28 111.01 0.23 Allowed 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 122.269 1.033 . . . . 10.0 111.65 -176.086 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.639 ' OD2' ' HB2' ' A' ' 17' ' ' ASP . 24.8 t70 -134.66 112.08 10.51 Favored 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 104.955 -2.239 . . . . 10.0 104.955 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -17.1 62.05 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.704 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.639 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . 2.8 m-20 -72.46 -25.93 61.63 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.361 -1.29 . . . . 10.0 109.566 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -98.14 145.64 30.15 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 108.267 -1.012 . . . . 10.0 108.267 178.868 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -89.07 75.75 1.44 Allowed 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 121.868 1.712 . . . . 10.0 116.299 -177.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.449 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 1.7 m -147.97 148.24 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-O 121.611 0.72 . . . . 10.0 111.388 177.288 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.0 p -105.7 168.61 8.99 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 115.016 -0.993 . . . . 10.0 108.839 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.42 102.16 9.57 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 118.231 2.678 . . . . 10.0 118.231 -177.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.592 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -99.76 -174.27 2.66 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.764 -1.21 . . . . 10.0 114.201 -170.053 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -127.96 165.56 20.02 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 105.347 -2.094 . . . . 10.0 105.347 -177.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.971 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.6 m-85 -60.0 152.31 61.16 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 119.258 0.935 . . . . 10.0 111.062 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.566 ' HB3' HD13 ' A' ' 72' ' ' LEU . 74.1 Cg_endo -76.66 67.08 7.35 Favored 'Trans proline' 0 CA--C 1.516 -0.381 0 C-N-CA 122.949 2.433 . . . . 10.0 108.326 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.624 HD21 ' HG3' ' A' ' 49' ' ' LYS . 7.7 mt -49.66 -36.78 25.96 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-O 124.515 2.102 . . . . 10.0 114.817 -177.303 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.0 p -88.07 -1.93 58.3 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 109.49 -3.505 . . . . 10.0 113.48 -176.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.57 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -128.18 61.51 53.22 Favored Pre-proline 0 N--CA 1.442 -0.844 0 N-CA-C 105.506 -2.035 . . . . 10.0 105.506 174.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.493 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 8.4 Cg_endo -48.71 -56.41 3.18 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 124.225 3.283 . . . . 10.0 116.504 -174.044 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.84 -40.07 69.23 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.593 HD21 ' O ' ' A' ' 76' ' ' ALA . 1.2 tm? -71.86 -33.86 68.76 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.738 -1.208 . . . . 10.0 107.738 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.971 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 18.6 t -64.61 -37.13 86.53 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 106.965 -1.494 . . . . 10.0 106.965 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -68.68 -24.0 64.45 Favored 'General case' 0 N--CA 1.417 -2.079 0 N-CA-C 113.413 0.894 . . . . 10.0 113.413 -175.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.449 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.2 pt-20 -77.29 -18.21 57.73 Favored 'General case' 0 CA--C 1.495 -1.16 0 C-N-CA 116.535 -2.066 . . . . 10.0 109.029 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.689 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.9 m0 -61.59 -28.4 69.33 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 106.284 -1.747 . . . . 10.0 106.284 177.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -57.7 -39.99 78.46 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-O 124.006 1.86 . . . . 10.0 111.409 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.57 -29.33 66.86 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 109.727 -3.397 . . . . 10.0 109.758 -174.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.6 -14.15 38.24 Favored 'General case' 0 C--N 1.306 -1.299 0 C-N-CA 120.216 -0.594 . . . . 10.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 36' ' ' TRP . 8.8 t -93.82 36.14 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-O 122.105 0.955 . . . . 10.0 108.829 174.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.38 13.31 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 116.644 2.09 . . . . 10.0 116.644 -178.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -94.07 147.46 23.12 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 119.089 0.859 . . . . 10.0 111.403 -179.613 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.3 tttt -53.56 -46.98 70.46 Favored 'General case' 0 CA--C 1.508 -0.668 0 O-C-N 123.755 0.659 . . . . 10.0 111.268 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.66 66.31 9.5 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 115.007 -0.997 . . . . 10.0 110.16 -179.428 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.549 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 5.4 t80 -55.17 118.39 4.32 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.298 -0.865 . . . . 10.0 109.173 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.578 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -57.51 -172.58 0.03 OUTLIER Pre-proline 0 CA--C 1.551 1.001 0 CA-C-N 114.576 -1.193 . . . . 10.0 111.311 178.814 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.782 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 84.2 Cg_exo -44.74 175.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 C-N-CA 122.237 1.958 . . . . 10.0 112.931 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.2 p -81.88 -155.79 0.14 Allowed 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 103.745 -2.687 . . . . 10.0 103.745 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.624 ' HG3' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -89.33 -2.85 58.59 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 111.589 -2.55 . . . . 10.0 113.619 -173.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -78.67 -31.11 46.56 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 105.12 -2.178 . . . . 10.0 105.12 174.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.782 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 10.2 p -62.52 173.24 1.29 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 121.205 1.821 . . . . 10.0 109.052 175.301 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.572 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.77 162.38 14.52 Favored 'General case' 0 N--CA 1.429 -1.509 0 CA-C-N 114.189 -1.369 . . . . 10.0 110.829 -177.527 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.572 HD12 ' C ' ' A' ' 52' ' ' SER . 3.4 mp -131.48 156.51 42.7 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.658 0 CA-C-N 115.066 -0.97 . . . . 10.0 108.534 -175.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.551 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 14.2 p -105.94 161.69 14.24 Favored 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 119.641 1.11 . . . . 10.0 112.23 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.517 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 1.3 p -59.45 -34.96 73.17 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 119.278 3.066 . . . . 10.0 119.278 -171.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.551 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -56.85 -14.58 3.58 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 114.366 1.247 . . . . 10.0 114.366 -176.736 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.596 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 90.8 m-70 -87.27 -15.84 36.93 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 115.099 1.518 . . . . 10.0 115.099 -176.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.55 ' HZ ' ' CD2' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -138.16 141.28 40.09 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 119.795 -0.762 . . . . 10.0 111.176 -177.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.428 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 1.9 p -45.64 137.42 5.61 Favored Pre-proline 0 N--CA 1.423 -1.777 0 CA-C-N 114.271 -1.331 . . . . 10.0 110.12 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.524 ' HA ' ' CD1' ' A' ' 63' ' ' PHE . 8.0 Cg_endo -48.83 -30.1 16.46 Favored 'Trans proline' 0 C--N 1.318 -1.035 0 C-N-CA 123.481 2.787 . . . . 10.0 112.33 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.638 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 7.0 m-20 -62.35 -46.65 87.74 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 113.443 -1.708 . . . . 10.0 108.049 176.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.589 ' OG ' ' HG2' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -91.92 7.08 43.72 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 113.761 1.023 . . . . 10.0 113.761 -175.692 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.524 ' CD1' ' HA ' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -40.48 -58.98 1.44 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.42 -1.264 . . . . 10.0 113.276 179.021 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HG3' ' OE1' ' A' ' 66' ' ' GLU . 10.2 pttp -174.11 -136.54 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 112.919 0.711 . . . . 10.0 112.919 -178.344 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -62.95 -16.86 60.94 Favored 'General case' 0 C--N 1.342 0.274 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -177.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.404 ' OE1' ' HG3' ' A' ' 64' ' ' LYS . 2.2 mp0 -83.35 7.23 17.25 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.918 0.389 . . . . 10.0 110.254 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.799 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 1.8 t -67.76 -103.87 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.694 -0.685 . . . . 10.0 111.625 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.445 ' N ' ' OG ' ' A' ' 67' ' ' SER . 5.1 t-20 -99.37 -71.57 0.69 Allowed 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 120.884 0.373 . . . . 10.0 110.757 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -100.89 -70.98 0.72 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.67 -0.696 . . . . 10.0 112.107 -178.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.64 2.66 0.95 Allowed 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 112.56 0.578 . . . . 10.0 112.56 -178.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.799 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -144.86 -164.84 2.01 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.944 -0.762 . . . . 10.0 108.944 179.359 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.791 HD12 HD13 ' A' ' 71' ' ' LEU . 4.0 mp -63.18 -172.27 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 123.488 1.613 . . . . 10.0 109.744 -176.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.742 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -90.64 103.87 16.52 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 104.413 -2.44 . . . . 10.0 104.413 170.477 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.57 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -51.44 -4.26 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 115.622 1.712 . . . . 10.0 115.622 -179.004 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.423 ' H ' ' C ' ' A' ' 73' ' ' LYS . 1.6 m-20 -108.95 18.17 20.96 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.216 -0.902 . . . . 10.0 110.534 175.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.593 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -144.36 150.64 38.1 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 122.902 1.334 . . . . 10.0 109.936 -179.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 79' ' ' THR . 0.1 OUTLIER -152.45 151.15 26.64 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 111.933 -2.394 . . . . 10.0 109.464 -177.447 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.607 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 2.2 Cg_endo -46.43 120.41 3.81 Favored 'Trans proline' 0 C--N 1.362 1.281 0 C-N-CA 123.505 2.803 . . . . 10.0 105.764 176.099 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 77' ' ' VAL . 21.9 p -123.65 -10.6 7.83 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 113.609 -1.632 . . . . 10.0 110.162 177.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.43 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 1.0 OUTLIER -91.38 4.9 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.674 -0.693 . . . . 10.0 110.97 -176.711 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.414 ' HD1' ' ND1' ' A' ' 57' ' ' HIS . 1.6 m-30 -38.39 -49.26 1.43 Allowed 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 113.779 1.029 . . . . 10.0 113.779 -177.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 CA--C 1.513 -0.445 0 O-C-N 123.273 0.358 . . . . 10.0 110.227 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 109.646 -0.501 . . . . 10.0 109.646 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.738 HG11 " H2'" ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -70.04 -45.37 76.62 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.762 0 N-CA-C 108.755 -0.831 . . . . 10.0 108.755 178.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.425 HE22 ' H41' ' B' ' 12' ' ' ' DC' . 36.0 mt-30 -52.89 -47.42 67.91 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 114.071 -1.422 . . . . 10.0 109.4 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.535 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -177.34 165.37 2.23 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.516 0.51 . . . . 10.0 110.335 178.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.0 m -78.89 174.68 11.26 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-O 122.903 1.335 . . . . 10.0 107.723 -176.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.512 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 6.7 t -80.08 -0.62 36.45 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 111.419 -2.628 . . . . 10.0 110.938 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.8 -150.07 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 122.01 0.909 . . . . 10.0 113.14 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -114.25 68.55 0.69 Allowed 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 108.49 -0.93 . . . . 10.0 108.49 -178.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.41 34.48 7.98 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.566 -0.826 . . . . 10.0 114.532 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.1 t -86.31 76.1 9.73 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 4.0 mmtp -74.91 61.75 1.06 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 176.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -93.22 24.92 3.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 118.952 -0.546 . . . . 10.0 111.696 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -24.98 136.6 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 O-C-N 124.561 1.163 . . . . 10.0 111.724 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -36.77 107.01 0.05 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 122.132 0.967 . . . . 10.0 112.686 -176.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.499 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 8.6 t0 -131.75 108.02 9.17 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 105.571 -2.011 . . . . 10.0 105.571 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -18.88 47.44 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.408 -1.269 . . . . 10.0 111.403 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.499 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -73.64 -24.55 60.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.147 -0.933 . . . . 10.0 109.383 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.443 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -102.59 133.41 20.5 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 114.587 -1.188 . . . . 10.0 108.695 179.705 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.81 75.84 4.59 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 121.463 1.442 . . . . 10.0 115.561 -177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.422 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 4.1 m -143.06 144.2 24.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 121.349 0.595 . . . . 10.0 111.912 177.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.55 169.7 8.31 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.01 -0.996 . . . . 10.0 108.89 178.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -118.43 102.38 8.88 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 118.163 2.653 . . . . 10.0 118.163 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.654 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -107.85 159.81 16.23 Favored 'General case' 0 C--O 1.195 -1.8 0 N-CA-C 115.18 1.548 . . . . 10.0 115.18 -171.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.482 ' HB2' ' H72' ' B' ' 8' ' ' ' DT' . 14.3 mtpt -95.23 165.75 12.24 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.022 -1.071 . . . . 10.0 110.956 177.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.948 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.17 157.47 16.69 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 118.685 0.675 . . . . 10.0 110.625 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.658 ' HB3' HD13 ' A' ' 72' ' ' LEU . 54.8 Cg_endo -78.43 67.51 8.27 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.638 2.225 . . . . 10.0 107.978 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.482 HD21 ' HG3' ' A' ' 49' ' ' LYS . 8.9 mt -48.08 -38.69 18.12 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 112.496 -2.138 . . . . 10.0 115.417 -177.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.7 p -87.42 0.08 56.02 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 109.14 -3.664 . . . . 10.0 113.546 -175.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.544 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.78 61.09 57.4 Favored Pre-proline 0 N--CA 1.448 -0.57 0 N-CA-C 105.782 -1.933 . . . . 10.0 105.782 174.881 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.44 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 8.5 Cg_endo -49.26 -51.27 10.96 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.705 2.937 . . . . 10.0 115.237 -174.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.74 -48.23 63.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.22 0.533 . . . . 10.0 109.597 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.508 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . 1.5 tm? -71.25 -30.66 66.59 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.808 -0.812 . . . . 10.0 108.808 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.948 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 19.7 t -63.91 -37.25 86.72 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.505 -1.295 . . . . 10.0 107.505 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -25.92 65.19 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-N 114.879 -1.055 . . . . 10.0 113.597 -176.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.447 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.8 OUTLIER -74.74 -22.63 58.7 Favored 'General case' 0 CA--C 1.494 -1.204 0 C-N-CA 115.995 -2.282 . . . . 10.0 108.434 178.789 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.689 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.8 m0 -57.25 -29.52 63.88 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 105.665 -1.976 . . . . 10.0 105.665 178.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -55.23 -49.33 72.26 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 123.73 1.729 . . . . 10.0 110.067 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -55.66 -35.4 65.94 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 110.401 -3.09 . . . . 10.0 112.29 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.7 -15.8 38.44 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 120.117 -0.633 . . . . 10.0 110.413 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 36' ' ' TRP . 25.7 t -91.88 46.03 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 108.164 -1.05 . . . . 10.0 108.164 174.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.24 13.31 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.095 1.146 . . . . 10.0 114.095 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.43 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -72.66 131.8 42.88 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 122.143 -0.348 . . . . 10.0 110.065 179.494 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -52.69 -54.1 38.27 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.418 0.628 . . . . 10.0 110.208 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.14 67.74 10.29 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 108.314 -0.995 . . . . 10.0 108.314 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.642 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 1.8 t80 -44.85 122.2 3.12 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.272 -0.876 . . . . 10.0 110.75 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.642 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -58.94 -171.1 0.03 OUTLIER Pre-proline 0 CA--C 1.544 0.747 0 CA-C-N 113.975 -1.466 . . . . 10.0 110.731 178.049 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.746 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 94.5 Cg_exo -45.43 176.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 122.55 2.167 . . . . 10.0 112.232 178.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.707 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 31.0 p -83.72 -154.47 0.16 Allowed 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 103.651 -2.722 . . . . 10.0 103.651 172.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.59 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.75 -2.19 57.82 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 112.493 -2.14 . . . . 10.0 113.858 -174.088 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.699 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 82.5 m-85 -77.84 -31.58 51.66 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 105.268 -2.123 . . . . 10.0 105.268 174.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.746 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 8.9 p -63.21 173.58 1.44 Allowed 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 120.78 1.627 . . . . 10.0 109.215 174.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.644 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.35 164.13 12.76 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 114.854 -1.066 . . . . 10.0 110.695 -178.322 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.644 HD12 ' C ' ' A' ' 52' ' ' SER . 3.0 mp -132.21 157.01 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 107.593 -1.262 . . . . 10.0 107.593 -176.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.2 p -106.64 153.88 21.74 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 119.805 1.184 . . . . 10.0 111.868 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.513 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 2.7 p -47.17 -40.04 15.06 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 118.634 2.827 . . . . 10.0 118.634 -173.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -16.02 2.71 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 114.665 1.357 . . . . 10.0 114.665 -176.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.575 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 94.3 m-70 -84.96 -16.5 40.74 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 114.586 1.328 . . . . 10.0 114.586 -177.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.452 ' CE2' ' HA ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -125.4 174.16 8.37 Favored 'General case' 0 CA--C 1.499 -1.006 0 C-N-CA 120.256 -0.578 . . . . 10.0 110.17 -179.007 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.505 ' HB ' ' OD1' ' A' ' 61' ' ' ASP . 0.8 OUTLIER -79.87 139.9 54.05 Favored Pre-proline 0 N--CA 1.424 -1.76 0 N-CA-C 108.723 -0.843 . . . . 10.0 108.723 179.025 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.6 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 6.7 Cg_endo -48.7 -33.17 23.8 Favored 'Trans proline' 0 C--N 1.331 -0.389 0 C-N-CA 123.299 2.666 . . . . 10.0 112.191 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.526 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -58.17 -47.2 84.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.222 -1.354 . . . . 10.0 109.427 177.835 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.566 ' CB ' ' HG2' ' A' ' 73' ' ' LYS . 2.5 t -93.06 4.62 53.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.18 -1.373 . . . . 10.0 114.419 -175.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.6 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -34.47 -55.66 0.53 Allowed 'General case' 0 C--N 1.317 -0.81 0 O-C-N 124.402 1.064 . . . . 10.0 113.87 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.583 ' HG3' ' OE1' ' A' ' 66' ' ' GLU . 15.7 pttp -175.95 -135.39 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.254 0.464 . . . . 10.0 112.254 -178.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.494 ' HG2' ' H ' ' A' ' 65' ' ' ARG . 1.0 OUTLIER -59.73 -14.65 15.26 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -178.321 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.583 ' OE1' ' HG3' ' A' ' 64' ' ' LYS . 24.4 mp0 -84.06 5.55 25.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.916 0.389 . . . . 10.0 110.309 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.808 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 1.7 t -68.72 -103.2 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.96 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.463 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.6 OUTLIER -101.74 -67.91 0.84 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.886 0.374 . . . . 10.0 111.921 -179.115 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -106.26 -70.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -144.32 1.54 1.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.405 0.52 . . . . 10.0 112.405 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.808 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -141.95 -164.96 1.9 Allowed 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 118.417 -0.801 . . . . 10.0 109.626 179.819 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.713 HD12 HD13 ' A' ' 71' ' ' LEU . 3.4 mp -64.54 -174.48 0.13 Allowed 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 122.433 1.111 . . . . 10.0 109.989 -176.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.73 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -88.86 103.87 16.4 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 104.085 -2.561 . . . . 10.0 104.085 171.06 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.544 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -49.28 -5.99 0.02 OUTLIER 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 116.508 2.04 . . . . 10.0 116.508 -177.449 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.8 20.25 18.25 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 121.472 0.653 . . . . 10.0 110.534 175.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -139.88 142.88 36.5 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 123.497 1.618 . . . . 10.0 109.125 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.467 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -149.31 147.46 23.51 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 110.905 -2.861 . . . . 10.0 108.356 -178.107 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.559 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 1.7 Cg_endo -44.23 120.59 2.62 Favored 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 123.885 3.057 . . . . 10.0 108.355 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.41 -11.38 8.34 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 113.662 -1.608 . . . . 10.0 109.281 177.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.471 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.8 OUTLIER -92.49 6.22 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.018 -176.755 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.575 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.4 m-30 -40.7 -50.08 3.08 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.304 0.854 . . . . 10.0 113.304 -178.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -173.8 155.22 2.58 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.541 0.525 . . . . 10.0 110.124 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -68.08 -69.21 0.33 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.822 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.17 -69.85 0.38 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.177 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.4 p -157.49 133.24 5.88 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 110.162 -0.31 . . . . 10.0 110.162 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 7.8 Cg_endo -74.38 162.84 37.55 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.606 2.204 . . . . 10.0 111.872 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 119.216 -0.421 . . . . 10.0 110.86 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.892 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.561 0 O4'-C1'-C2' 106.953 0.776 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.892 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.986 0 O4'-C1'-N19 108.994 1.492 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.787 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 O4'-C1'-N19 108.868 1.335 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.787 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-C2' 107.333 1.121 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.732 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 O4'-C1'-N19 108.56 0.95 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.732 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 O4'-C1'-N19 108.67 1.088 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.975 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.66 0 O4'-C1'-N19 109.515 2.144 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.975 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C5'-C4'-C3' 113.138 -1.041 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.493 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.236 0 O4'-C1'-N19 109.565 2.206 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.738 " H2'" HG11 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.42 -1.275 0 O4'-C1'-N19 109.728 2.41 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.422 ' OP2' H2'' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 O3'-P-O5' 100.789 -1.69 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.425 ' H41' HE22 ' A' ' 3' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-C2' 107.038 0.853 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.57 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C2'-C3'-O3' 112.819 0.822 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.837 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C1'-C2' 107.084 0.895 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.107 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 1.024 0 O4'-C1'-N19 109.534 2.167 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.107 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.452 2.445 2 N19-C1'-C2' 103.326 -6.796 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.584 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C1'-N19 109.09 1.613 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.717 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.638 0 O4'-C1'-C2' 107.318 1.108 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.936 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C4'-C3'-C2' 102.38 -0.82 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.936 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-C2' 107.419 1.199 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.407 H2'' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-C2' 107.165 0.968 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.707 ' OP2' HG21 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.417 -1.442 0 O4'-C1'-N19 109.247 1.809 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.699 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 P-O5'-C5' 118.128 -1.732 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.41 ' OP2' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 O4'-C1'-N19 108.694 1.117 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . 0.455 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 O4'-C1'-N19 108.915 1.393 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.532 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-N19 109.045 1.556 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.592 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 O4'-C4'-C3' 104.648 -0.952 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.592 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 O4'-C1'-C2' 107.128 0.935 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.562 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-N19 108.736 1.17 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.51 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C4'-C3' 104.576 -1.024 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.51 ' C8 ' H2'' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 O4'-C1'-C2' 107.193 0.993 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.506 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 106.996 0.815 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.517 ' HA ' ' OG ' ' A' ' 52' ' ' SER . 3.1 mpp? . . . . . 0 N--CA 1.486 1.336 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' A' ' 13' ' ' ARG . 3.1 m -68.81 -34.99 67.48 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 O-C-N 123.15 0.281 . . . . 10.0 110.526 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -54.39 -57.43 11.33 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.535 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 1.3 t -177.78 166.35 2.1 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.708 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 30.9 m -80.48 177.64 8.86 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 123.356 1.551 . . . . 10.0 108.39 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.628 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 16.9 t -81.82 -3.64 54.47 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 110.873 -2.876 . . . . 10.0 110.582 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.34 -149.74 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.521 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -111.05 68.12 0.66 Allowed 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 -178.184 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.08 34.71 13.97 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.696 -0.684 . . . . 10.0 113.66 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.446 ' O ' ' SG ' ' A' ' 10' ' ' CYS . 2.1 t -82.26 76.71 9.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.467 0.633 . . . . 10.0 112.504 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 18.0 mmtt -73.14 59.46 0.54 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 176.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.402 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 1.3 m-80 -93.57 30.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.383 -0.823 . . . . 10.0 112.097 -178.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.487 ' HA ' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -22.66 134.56 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.374 0 O-C-N 124.902 1.376 . . . . 10.0 111.631 179.529 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.498 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -42.03 113.57 0.45 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-O 121.763 0.792 . . . . 10.0 110.199 -178.332 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.413 ' OD2' ' HB2' ' A' ' 17' ' ' ASP . 25.6 t70 -140.34 107.15 5.38 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 106.096 -1.816 . . . . 10.0 106.096 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -20.3 56.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.64 0.733 . . . . 10.0 111.084 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.413 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -69.9 -22.36 63.23 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.56 -1.2 . . . . 10.0 109.11 179.458 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -101.02 146.16 31.66 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 107.304 -1.369 . . . . 10.0 107.304 177.593 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -88.35 75.48 1.84 Allowed 'Trans proline' 0 N--CA 1.462 -0.335 0 N-CA-C 115.62 1.354 . . . . 10.0 115.62 -177.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.533 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 2.4 m -147.78 149.09 15.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-O 121.528 0.68 . . . . 10.0 112.027 177.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.08 169.36 8.67 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 108.174 -1.047 . . . . 10.0 108.174 177.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.498 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -117.79 102.08 8.83 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 117.789 2.514 . . . . 10.0 117.789 -176.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.593 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -106.83 161.15 14.95 Favored 'General case' 0 C--O 1.195 -1.794 0 N-CA-C 115.069 1.507 . . . . 10.0 115.069 -171.11 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.481 ' NZ ' ' H71' ' B' ' 8' ' ' ' DT' . 34.2 mtpt -95.91 165.28 12.35 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 119.252 -0.979 . . . . 10.0 111.933 178.294 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.845 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -57.4 158.9 9.74 Favored Pre-proline 0 N--CA 1.47 0.563 0 CA-C-N 118.522 0.601 . . . . 10.0 111.345 179.569 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.689 ' HB3' HD13 ' A' ' 72' ' ' LEU . 57.4 Cg_endo -79.45 67.66 8.53 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.691 2.261 . . . . 10.0 108.617 177.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.538 HD21 ' HG3' ' A' ' 49' ' ' LYS . 12.3 mt -49.53 -38.31 30.21 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 112.623 -2.081 . . . . 10.0 115.361 -177.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.2 p -88.63 1.71 54.53 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 109.594 -3.457 . . . . 10.0 113.107 -175.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.539 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.28 59.22 43.92 Favored Pre-proline 0 N--CA 1.445 -0.724 0 N-CA-C 106.156 -1.794 . . . . 10.0 106.156 175.202 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.576 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.6 Cg_endo -47.68 -55.45 3.96 Favored 'Trans proline' 0 C--O 1.216 -0.584 0 C-N-CA 123.854 3.036 . . . . 10.0 115.974 -174.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.8 OUTLIER -53.09 -44.19 67.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.478 0.656 . . . . 10.0 109.776 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.48 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.5 tm? -69.9 -33.28 71.99 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.185 -1.043 . . . . 10.0 108.185 179.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.845 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 51.4 t -63.54 -37.03 85.75 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 107.78 -1.193 . . . . 10.0 107.78 179.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -67.39 -26.82 66.63 Favored 'General case' 0 N--CA 1.424 -1.738 0 CA-C-N 114.956 -1.02 . . . . 10.0 113.518 -176.817 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -73.88 -23.18 59.55 Favored 'General case' 0 CA--C 1.492 -1.258 0 C-N-CA 116.154 -2.218 . . . . 10.0 108.731 178.899 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.669 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.7 m0 -57.78 -29.5 64.9 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 105.99 -1.856 . . . . 10.0 105.99 178.308 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -55.28 -49.42 72.14 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 123.812 1.768 . . . . 10.0 109.62 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.04 -35.85 62.42 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 110.716 -2.947 . . . . 10.0 112.393 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.65 -16.27 34.89 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.839 -0.745 . . . . 10.0 110.172 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 36' ' ' TRP . 21.4 t -92.43 37.72 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 108.211 -1.033 . . . . 10.0 108.211 174.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.92 12.43 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.873 1.435 . . . . 10.0 114.873 -176.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.463 ' HD3' ' CE1' ' A' ' 8' ' ' TYR . 10.7 tpt180 -71.94 141.06 49.46 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -52.28 -57.25 10.3 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.209 0.528 . . . . 10.0 110.038 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.34 69.07 7.89 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 108.69 -0.855 . . . . 10.0 108.69 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.633 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 5.7 t80 -44.03 126.31 4.84 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.18 -0.918 . . . . 10.0 110.23 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.633 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -62.37 -172.71 0.05 OUTLIER Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 114.648 -1.16 . . . . 10.0 111.472 179.577 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.772 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 86.8 Cg_exo -46.41 176.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 122.453 2.102 . . . . 10.0 112.299 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.673 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 34.7 p -83.85 -154.2 0.15 Allowed 'General case' 0 CA--C 1.503 -0.846 0 N-CA-C 102.939 -2.986 . . . . 10.0 102.939 172.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -91.52 -3.71 56.24 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 112.357 -2.202 . . . . 10.0 114.129 -174.042 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.723 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 85.4 m-85 -77.53 -30.84 53.01 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 105.443 -2.058 . . . . 10.0 105.443 174.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.772 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 8.0 p -64.01 173.31 1.93 Allowed 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 120.441 1.473 . . . . 10.0 109.183 174.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.593 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -111.17 161.52 15.87 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.208 -1.36 . . . . 10.0 110.254 -178.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.593 HD12 ' C ' ' A' ' 52' ' ' SER . 3.2 mp -131.25 158.02 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 N-CA-C 107.43 -1.322 . . . . 10.0 107.43 -176.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.7 p -107.14 158.23 17.25 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 120.277 1.398 . . . . 10.0 111.338 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.533 ' OG ' ' HB ' ' A' ' 20' ' ' VAL . 0.3 OUTLIER -52.27 -37.35 55.2 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 119.078 2.992 . . . . 10.0 119.078 -172.812 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -16.03 1.38 Allowed 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 114.43 1.27 . . . . 10.0 114.43 -176.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.575 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 92.0 m-70 -87.45 -16.55 34.5 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 114.893 1.442 . . . . 10.0 114.893 -176.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.443 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -138.01 137.76 38.19 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.673 0.67 . . . . 10.0 111.859 -177.636 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 p -43.86 138.33 3.21 Favored Pre-proline 0 N--CA 1.432 -1.366 0 CA-C-N 114.207 -1.361 . . . . 10.0 111.055 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.532 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 8.7 Cg_endo -49.49 -29.13 17.71 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.161 2.574 . . . . 10.0 112.509 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.455 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 9.0 m-20 -61.41 -48.56 80.64 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 113.717 -1.583 . . . . 10.0 107.503 175.056 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.614 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -91.51 6.68 44.65 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 113.786 1.032 . . . . 10.0 113.786 -174.671 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.532 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -39.15 -57.85 1.25 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 114.223 1.194 . . . . 10.0 114.223 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 67' ' ' SER . 13.9 pttt -175.86 -140.51 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 117.881 0.309 . . . . 10.0 111.534 -177.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.27 -12.08 12.06 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.354 0.501 . . . . 10.0 112.354 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.98 6.27 25.8 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.6 -0.519 . . . . 10.0 109.6 178.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.733 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 1.4 t -70.7 -108.35 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.176 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.481 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -102.65 -63.36 1.17 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -178.791 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -102.51 -73.67 0.65 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -178.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -147.25 1.39 0.73 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.746 0.308 . . . . 10.0 111.478 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.795 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -143.95 -164.43 1.88 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 118.568 -0.729 . . . . 10.0 109.131 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.795 HD12 HD13 ' A' ' 71' ' ' LEU . 3.1 mp -64.07 -172.56 0.07 Allowed 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 122.748 1.261 . . . . 10.0 110.045 -176.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.619 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 3.1 mmmm -88.57 105.25 17.52 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 103.703 -2.703 . . . . 10.0 103.703 170.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.539 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 11.2 pm0 -50.39 -5.17 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 115.747 1.758 . . . . 10.0 115.747 -178.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -110.28 16.93 21.39 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.819 175.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.449 ' HB3' ' OG ' ' A' ' 62' ' ' SER . . . -141.33 143.26 33.93 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 123.747 1.737 . . . . 10.0 110.042 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.495 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -146.14 151.24 44.16 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 110.636 -2.983 . . . . 10.0 108.298 -177.377 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.575 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 2.0 Cg_endo -46.2 118.86 2.65 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.225 2.617 . . . . 10.0 107.754 176.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.48 -10.34 8.42 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 113.834 -1.53 . . . . 10.0 109.123 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.421 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -93.09 6.65 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 115.493 -0.776 . . . . 10.0 111.179 -177.178 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.512 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.5 m-30 -39.8 -48.92 2.31 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.014 1.116 . . . . 10.0 114.014 -177.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.521 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -170.63 164.19 8.23 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.282 -0.266 . . . . 10.0 110.282 -179.034 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -76.79 -58.51 3.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.186 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.448 HD12 HG12 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -152.25 -68.6 0.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.543 -0.299 . . . . 10.0 111.029 179.505 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.448 HG12 HD12 ' A' ' 84' ' ' LEU . 3.2 p -159.48 134.87 5.86 Favored Pre-proline 0 N--CA 1.452 -0.357 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.419 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 16.8 Cg_exo -65.78 177.38 2.91 Favored 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 122.923 2.415 . . . . 10.0 112.682 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.848 0 CA-C-O 117.751 -1.118 . . . . 10.0 109.455 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.868 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.541 0 O4'-C1'-C2' 107.013 0.83 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.868 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C4'-C3' 104.734 -0.866 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.863 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C1'-N19 108.972 1.465 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.863 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 O4'-C4'-C3' 104.363 -1.237 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.717 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 O4'-C1'-C2' 107.086 0.896 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.738 " H1'" ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 O4'-C1'-C2' 107.178 0.98 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 1.009 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 O4'-C1'-N19 109.178 1.723 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 1.009 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.647 0 C5'-C4'-C3' 112.874 -1.217 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.497 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.421 -1.204 0 O4'-C1'-N19 109.241 1.801 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.497 ' OP2' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.346 0 O4'-C1'-N19 109.212 1.765 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.583 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.969 0 O3'-P-O5' 101.325 -1.408 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.583 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C2'-C3'-O3' 112.971 0.878 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.599 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-C2' 107.103 0.912 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.837 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.578 0 O4'-C1'-C2' 106.963 0.784 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.173 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 O4'-C1'-N19 109.908 2.636 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.173 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.45 2.291 2 N19-C1'-C2' 103.434 -6.728 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.737 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-N19 108.8 1.249 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.737 ' C8 ' H2'' ' C' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C1'-C2' 107.218 1.017 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.717 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 O4'-C1'-N19 108.723 1.154 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.717 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 O4'-C1'-C2' 107.527 1.297 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.451 ' OP2' ' HA ' ' A' ' 47' ' ' PRO . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 O4'-C1'-C2' 107.156 0.96 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.685 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.419 -1.311 0 O4'-C1'-N19 109.304 1.88 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.723 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 P-O5'-C5' 118.267 -1.646 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 O4'-C1'-N19 109.228 1.784 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . 0.489 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.082 0 O4'-C4'-C3' 104.289 -1.311 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.572 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.706 0 O3'-P-O5' 101.74 -1.189 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.691 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 O4'-C1'-C2' 107.179 0.981 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.691 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-N19 108.754 1.193 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.516 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 107.376 1.16 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.485 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-C2' 107.176 0.978 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.607 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.662 0 O4'-C1'-C2' 107.003 0.821 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.607 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-C2' 107.128 0.934 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.55 ' HA ' ' OG ' ' A' ' 52' ' ' SER . 3.2 mpp? . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 109.099 -0.704 . . . . 10.0 109.099 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.412 HG21 ' OP2' ' B' ' 11' ' ' ' DG' . 2.5 m -69.07 -34.84 65.77 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.624 0 O-C-N 123.283 0.365 . . . . 10.0 110.453 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.522 ' NE2' ' H71' ' C' ' 20' ' ' ' DT' . 32.3 mt-30 -52.52 -59.49 4.38 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.976 -0.75 . . . . 10.0 108.976 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.492 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 2.6 t 179.33 171.4 0.94 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 123.551 0.532 . . . . 10.0 110.654 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.39 168.38 16.64 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 107.594 -1.262 . . . . 10.0 107.594 -176.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.641 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 9.2 t -74.16 -0.32 16.34 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 112.461 -2.154 . . . . 10.0 111.682 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.416 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . . . -59.68 -147.42 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.448 0.907 . . . . 10.0 113.448 178.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.482 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 0.7 OUTLIER -112.43 70.72 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.697 -0.627 . . . . 10.0 109.406 -178.408 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.71 33.96 26.17 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.315 -0.945 . . . . 10.0 114.053 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.9 t -85.0 73.5 10.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.228 0.514 . . . . 10.0 111.75 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.492 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 6.9 mmtp -69.22 60.68 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 177.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -92.95 30.81 1.52 Allowed 'General case' 0 C--N 1.317 -0.805 0 O-C-N 121.352 -0.843 . . . . 10.0 111.536 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -23.58 133.67 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 O-C-N 125.253 1.595 . . . . 10.0 110.804 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -37.59 110.29 0.12 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.985 0.897 . . . . 10.0 111.318 -177.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.599 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 3.1 t0 -134.6 111.67 10.23 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 106.42 -1.696 . . . . 10.0 106.42 178.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -64.12 -16.64 62.25 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.122 -0.944 . . . . 10.0 111.829 -179.404 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.599 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -76.43 -23.78 53.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.248 -0.887 . . . . 10.0 108.677 179.633 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.533 ' HZ2' ' HB3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -100.69 145.45 30.37 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 107.9 -1.148 . . . . 10.0 107.9 178.799 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -90.23 76.23 0.96 Allowed 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 121.717 1.611 . . . . 10.0 116.266 -176.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.439 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 2.7 m -145.87 146.12 19.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-O 121.364 0.602 . . . . 10.0 111.26 178.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 p -104.64 168.6 8.97 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.072 -1.084 . . . . 10.0 108.072 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -120.73 101.46 7.74 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 117.397 2.369 . . . . 10.0 117.397 -176.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.611 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -107.38 162.67 13.7 Favored 'General case' 0 C--O 1.195 -1.775 0 N-CA-C 114.987 1.477 . . . . 10.0 114.987 -170.193 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.581 ' HD3' ' H72' ' B' ' 8' ' ' ' DT' . 15.2 mtpt -95.05 165.47 12.41 Favored 'General case' 0 C--N 1.311 -1.068 0 C-N-CA 119.419 -0.912 . . . . 10.0 111.727 178.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.926 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -59.05 158.18 18.52 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 118.666 0.666 . . . . 10.0 110.323 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.658 ' HB3' HD13 ' A' ' 72' ' ' LEU . 49.3 Cg_endo -79.52 68.33 8.32 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.472 2.115 . . . . 10.0 108.409 177.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.1 mt -49.95 -36.06 26.47 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 112.99 -1.914 . . . . 10.0 115.109 -176.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.0 p -88.76 1.62 54.89 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 109.673 -3.421 . . . . 10.0 113.2 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.51 57.61 32.6 Favored Pre-proline 0 N--CA 1.447 -0.592 0 N-CA-C 106.145 -1.798 . . . . 10.0 106.145 174.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.523 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 4.5 Cg_endo -46.7 -56.1 3.26 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 123.844 3.03 . . . . 10.0 115.627 -175.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -47.37 57.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.279 0.561 . . . . 10.0 109.654 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.479 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.8 tm? -69.92 -33.15 71.78 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.428 -0.953 . . . . 10.0 108.428 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.926 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 49.4 t -63.29 -36.53 83.99 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 107.149 -1.426 . . . . 10.0 107.149 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -68.83 -24.08 64.33 Favored 'General case' 0 N--CA 1.427 -1.6 0 N-CA-C 113.726 1.01 . . . . 10.0 113.726 -176.126 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -75.18 -21.84 58.46 Favored 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 115.888 -2.325 . . . . 10.0 108.317 178.844 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.639 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.4 m0 -59.2 -26.23 64.66 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 106.21 -1.774 . . . . 10.0 106.21 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -55.82 -48.16 75.94 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 123.712 1.72 . . . . 10.0 109.33 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -53.49 -35.24 60.38 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 110.596 -3.002 . . . . 10.0 112.024 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.05 -16.55 31.32 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 119.841 -0.744 . . . . 10.0 110.197 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 36' ' ' TRP . 24.4 t -92.41 25.59 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 122.338 1.066 . . . . 10.0 108.471 175.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -56.95 13.67 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.748 1.388 . . . . 10.0 114.748 -177.747 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.483 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -76.59 145.56 38.86 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 122.2 -0.312 . . . . 10.0 110.277 -179.408 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -51.94 -54.79 25.46 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.83 68.15 9.83 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.449 -0.796 . . . . 10.0 109.265 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.648 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 2.5 t80 -49.46 122.83 6.66 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.39 -0.823 . . . . 10.0 108.844 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.648 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -61.86 -172.05 0.05 OUTLIER Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 114.837 -1.074 . . . . 10.0 110.826 179.209 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.742 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 81.0 Cg_exo -47.05 176.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 121.955 1.77 . . . . 10.0 112.054 178.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.604 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 32.7 p -82.19 -153.54 0.11 Allowed 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 103.354 -2.832 . . . . 10.0 103.354 172.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.568 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.0 -3.51 57.95 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 112.027 -2.351 . . . . 10.0 114.052 -173.408 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.713 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 70.1 m-85 -78.25 -30.51 48.67 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 105.68 -1.97 . . . . 10.0 105.68 174.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.742 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 10.7 p -62.95 173.0 1.49 Allowed 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 120.675 1.579 . . . . 10.0 109.596 174.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.643 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -109.6 159.43 17.11 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.271 -1.332 . . . . 10.0 109.764 -179.791 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.643 HD12 ' C ' ' A' ' 52' ' ' SER . 2.7 mp -129.78 158.24 42.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 114.219 -1.355 . . . . 10.0 107.722 -175.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.2 p -105.84 157.43 17.47 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 119.988 1.267 . . . . 10.0 111.827 178.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.497 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 2.1 p -53.36 -41.15 65.56 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 118.85 2.908 . . . . 10.0 118.85 -173.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -14.41 1.1 Allowed 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 114.607 1.336 . . . . 10.0 114.607 -176.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.55 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 82.7 m-70 -85.43 -17.05 37.74 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 114.643 1.349 . . . . 10.0 114.643 -177.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.405 ' CE2' ' HA ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -125.18 174.69 7.91 Favored 'General case' 0 CA--C 1.502 -0.88 0 CA-C-N 118.412 0.551 . . . . 10.0 109.974 -178.441 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.11 140.1 42.59 Favored Pre-proline 0 N--CA 1.432 -1.325 0 N-CA-C 108.69 -0.855 . . . . 10.0 108.69 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.584 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.1 Cg_endo -49.75 -30.89 24.08 Favored 'Trans proline' 0 C--N 1.33 -0.433 0 C-N-CA 123.359 2.706 . . . . 10.0 113.015 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.05 -46.23 88.77 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.321 -1.308 . . . . 10.0 109.099 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.44 ' OG ' ' HB2' ' A' ' 73' ' ' LYS . 1.9 t -94.4 3.73 54.8 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 113.967 -1.469 . . . . 10.0 114.055 -175.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.584 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -36.81 -55.03 0.91 Allowed 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 -178.817 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.484 ' HB2' ' H ' ' A' ' 65' ' ' ARG . 31.3 pttt -173.66 -145.3 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.617 0.644 . . . . 10.0 112.539 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.484 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 3.0 ptm180 -54.72 -19.63 6.65 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.434 0.902 . . . . 10.0 113.434 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -80.55 5.53 15.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.016 0.436 . . . . 10.0 110.091 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.806 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.6 t -68.62 -101.66 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.632 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.42 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.5 OUTLIER -101.0 -68.66 0.8 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.872 0.367 . . . . 10.0 111.904 -178.483 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -109.41 -67.75 0.96 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.621 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -144.63 0.35 0.98 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.215 -0.594 . . . . 10.0 112.512 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.813 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -140.53 -164.59 1.75 Allowed 'General case' 0 C--O 1.214 -0.782 0 CA-C-O 118.622 -0.704 . . . . 10.0 110.426 -179.143 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.813 HD12 HD13 ' A' ' 71' ' ' LEU . 3.8 mp -64.33 -168.79 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 123.779 1.752 . . . . 10.0 110.922 -176.035 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.642 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -87.87 100.91 13.23 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 103.446 -2.798 . . . . 10.0 103.446 170.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.479 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -51.63 -7.99 0.05 Allowed 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 115.131 1.53 . . . . 10.0 115.131 -178.742 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -109.36 16.97 21.97 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.602 -0.726 . . . . 10.0 111.047 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.444 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -139.51 142.98 37.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 123.837 1.78 . . . . 10.0 109.418 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.49 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -144.48 149.15 43.1 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 110.254 -3.157 . . . . 10.0 108.853 -178.254 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.531 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 1.2 Cg_endo -46.94 118.99 3.04 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.54 2.827 . . . . 10.0 107.984 177.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.7 t -124.23 -10.95 7.53 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.123 -1.399 . . . . 10.0 109.57 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.416 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.9 OUTLIER -91.19 6.26 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.086 -0.961 . . . . 10.0 110.64 -177.279 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.55 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 2.0 m-30 -39.42 -52.79 2.07 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.046 1.128 . . . . 10.0 114.046 -178.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.482 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -167.77 163.29 14.16 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 -179.111 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -67.73 -59.87 2.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.108 -0.701 . . . . 10.0 109.108 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.51 HD12 HG12 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -163.28 -66.68 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.609 179.218 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.51 HG12 HD12 ' A' ' 84' ' ' LEU . 1.5 p -153.76 125.37 3.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 10.0 111.51 -179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.42 ' HG3' HD11 ' A' ' 82' ' ' LEU . 16.4 Cg_exo -66.74 -179.76 1.8 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.698 2.932 . . . . 10.0 113.099 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-N 115.195 -0.911 . . . . 10.0 109.698 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.698 H2'' ' C6 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.564 0 O5'-C5'-C4' 111.601 1.001 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.752 H2'' ' H71' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.998 0 O4'-C1'-N19 109.07 1.587 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.802 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 O4'-C1'-N19 108.954 1.442 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.802 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-N19 108.678 1.097 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.737 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 C4'-C3'-C2' 102.466 -0.734 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.737 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.071 0 O4'-C4'-C3' 104.632 -0.968 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 1.004 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 O4'-C1'-N19 109.497 2.121 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 1.004 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.68 0 O3'-P-O5' 101.901 -1.105 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.492 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.421 -1.163 0 O4'-C1'-N19 109.288 1.859 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.492 ' OP2' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.383 0 P-O5'-C5' 117.846 -1.908 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.412 ' OP2' HG21 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 O3'-P-O5' 101.053 -1.551 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.516 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.422 -1.104 0 C2'-C3'-O3' 114.158 1.318 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.533 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 O4'-C1'-C2' 107.054 0.867 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.959 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 O4'-C1'-C2' 106.962 0.784 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.12 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 O4'-C1'-N19 109.48 2.1 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.12 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.452 2.471 2 N19-C1'-C2' 103.137 -6.914 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.569 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.43 0.776 0 O4'-C1'-N19 108.97 1.462 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.772 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 O4'-C1'-N19 108.729 1.162 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.838 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 O4'-C1'-C2' 106.942 0.765 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.838 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 O4'-C1'-C2' 107.296 1.088 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.473 ' C8 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 O4'-C1'-C2' 107.148 0.953 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.713 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.419 -1.326 0 O4'-C1'-N19 108.876 1.344 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.71 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 P-O5'-C5' 118.249 -1.657 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.044 0 O4'-C1'-N19 108.882 1.353 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . 0.465 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.969 0 O4'-C1'-N19 109.267 1.834 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.571 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.663 0 O3'-P-O5' 101.714 -1.203 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.668 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-C2' 107.044 0.858 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.668 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 O4'-C1'-N19 108.732 1.166 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.563 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C4'-C3' 104.5 -1.1 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.515 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 O4'-C4'-C3' 104.615 -0.985 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.445 ' C8 ' H2'' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-C2' 107.093 0.902 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.429 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.669 0 O4'-C1'-C2' 107.134 0.94 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HA ' ' H ' ' A' ' 52' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 109.196 -0.668 . . . . 10.0 109.196 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.731 HG21 H2'' ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -68.38 -46.02 81.36 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 O-C-N 123.014 0.196 . . . . 10.0 110.574 -179.614 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.456 ' NE2' ' H71' ' C' ' 20' ' ' ' DT' . 21.9 mt-30 -50.66 -50.38 54.8 Favored 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 123.967 0.792 . . . . 10.0 109.598 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.605 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 2.7 t -178.14 166.83 1.98 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 123.419 0.449 . . . . 10.0 111.562 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.7 m -80.75 165.29 22.06 Favored 'General case' 0 C--N 1.339 0.121 0 N-CA-C 107.844 -1.169 . . . . 10.0 107.844 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.65 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 8.0 t -74.92 0.06 16.97 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 112.908 -1.951 . . . . 10.0 110.656 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.89 -149.32 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 113.972 1.101 . . . . 10.0 113.972 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.455 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -110.41 68.03 0.66 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.833 -0.622 . . . . 10.0 109.36 -178.236 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.69 33.21 25.28 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.54 -0.838 . . . . 10.0 113.291 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.6 t -88.13 75.98 8.58 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 117.567 0.684 . . . . 10.0 112.246 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.605 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 11.5 mtpt -72.69 63.99 0.63 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.336 -0.986 . . . . 10.0 108.336 176.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -92.07 32.17 1.18 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 119.296 0.953 . . . . 10.0 112.918 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -24.36 137.65 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 O-C-N 124.711 1.257 . . . . 10.0 112.026 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.472 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -43.19 109.42 0.14 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.45 0.643 . . . . 10.0 110.956 -178.18 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.542 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 17.8 t0 -134.49 117.45 16.24 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 105.542 -2.021 . . . . 10.0 105.542 177.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.96 -16.88 61.07 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.366 -0.834 . . . . 10.0 111.505 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.514 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . 96.4 m-20 -74.5 -24.24 58.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.17 -0.923 . . . . 10.0 109.687 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -100.7 140.96 21.78 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 108.335 -0.987 . . . . 10.0 108.335 179.221 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -86.71 75.63 2.63 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 121.463 1.442 . . . . 10.0 114.754 -177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.504 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 1.6 m -146.28 148.21 17.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-O 121.252 0.549 . . . . 10.0 111.213 178.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.4 169.1 8.78 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 108.034 -1.098 . . . . 10.0 108.034 177.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.472 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 1.9 m-85 -117.8 103.75 10.29 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 116.983 2.216 . . . . 10.0 116.983 -177.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.604 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -106.36 159.17 16.34 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 114.796 1.406 . . . . 10.0 114.796 -171.337 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.448 ' NZ ' ' H71' ' B' ' 8' ' ' ' DT' . 28.3 mtpt -94.31 163.59 13.37 Favored 'General case' 0 C--N 1.309 -1.161 0 C-N-CA 119.124 -1.03 . . . . 10.0 111.122 178.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.875 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.5 m-85 -58.05 157.3 16.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 118.642 0.655 . . . . 10.0 111.092 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.689 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 91.7 Cg_endo -77.23 68.45 7.43 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.904 2.403 . . . . 10.0 109.484 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.623 HD21 ' HG3' ' A' ' 49' ' ' LYS . 12.6 mt -50.38 -35.25 27.31 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 112.778 -2.01 . . . . 10.0 115.257 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.0 p -90.31 0.09 57.4 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 109.896 -3.32 . . . . 10.0 113.328 -176.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.522 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -131.45 59.13 43.29 Favored Pre-proline 0 N--CA 1.444 -0.742 0 N-CA-C 106.118 -1.808 . . . . 10.0 106.118 175.404 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.501 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.4 Cg_endo -46.58 -53.14 6.44 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.814 3.009 . . . . 10.0 115.191 -175.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.4 m -52.15 -46.07 65.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.966 0.412 . . . . 10.0 109.939 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.48 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . 1.4 tm? -71.37 -32.64 68.73 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.196 -1.038 . . . . 10.0 108.196 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.875 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 49.9 t -62.96 -37.12 85.83 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.267 -1.382 . . . . 10.0 107.267 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -24.83 64.93 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 113.742 1.016 . . . . 10.0 113.742 -176.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -76.12 -22.25 55.72 Favored 'General case' 0 CA--C 1.497 -1.081 0 C-N-CA 116.448 -2.101 . . . . 10.0 108.95 179.477 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.673 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.2 m0 -58.39 -27.63 64.43 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 105.934 -1.876 . . . . 10.0 105.934 177.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -55.38 -48.12 74.79 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 123.632 1.682 . . . . 10.0 109.657 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -53.96 -34.72 60.5 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 110.677 -2.965 . . . . 10.0 112.63 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.422 ' O ' ' HD2' ' A' ' 81' ' ' PHE . . . -88.48 -15.99 33.9 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 120.311 -0.556 . . . . 10.0 111.206 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 36' ' ' TRP . 20.0 t -90.28 45.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 107.215 -1.402 . . . . 10.0 107.215 175.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.31 13.11 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.107 -1.406 . . . . 10.0 114.007 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -78.33 144.31 36.16 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -56.92 -56.38 22.36 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.274 0.559 . . . . 10.0 109.683 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.13 68.33 6.23 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.078 -0.965 . . . . 10.0 108.758 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.641 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 4.5 t80 -46.59 124.45 5.98 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.283 -0.871 . . . . 10.0 109.326 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.65 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.7 OUTLIER -62.63 -172.92 0.06 OUTLIER Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 114.632 -1.167 . . . . 10.0 111.262 179.605 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.774 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 82.7 Cg_exo -46.13 176.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.336 2.024 . . . . 10.0 112.832 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.611 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 36.6 p -82.49 -153.83 0.12 Allowed 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 103.253 -2.869 . . . . 10.0 103.253 172.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.623 ' HG3' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -90.33 -3.55 57.68 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 111.875 -2.42 . . . . 10.0 114.161 -173.756 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.714 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 81.4 m-85 -78.16 -30.8 49.34 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 105.29 -2.115 . . . . 10.0 105.29 174.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.774 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 12.8 p -64.39 173.09 2.2 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 117.767 -1.573 . . . . 10.0 109.082 174.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.613 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -110.18 162.84 14.2 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.772 -1.103 . . . . 10.0 110.165 -178.171 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.613 HD12 ' C ' ' A' ' 52' ' ' SER . 3.3 mp -130.77 158.46 43.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 107.805 -1.183 . . . . 10.0 107.805 -176.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 13.9 p -106.33 156.77 18.17 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 119.927 1.24 . . . . 10.0 111.607 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.565 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 1.8 p -54.7 -37.12 65.43 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 118.972 2.952 . . . . 10.0 118.972 -172.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -15.34 2.37 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 114.068 1.136 . . . . 10.0 114.068 -176.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.596 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 88.4 m-70 -86.25 -16.91 36.16 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 114.532 1.308 . . . . 10.0 114.532 -177.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.479 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -137.27 136.25 37.89 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 118.229 0.468 . . . . 10.0 110.891 -178.666 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.2 p -41.49 136.59 1.85 Allowed Pre-proline 0 N--CA 1.431 -1.39 0 O-C-N 124.795 1.31 . . . . 10.0 111.17 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.584 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.0 Cg_endo -49.49 -29.35 18.28 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.86 2.373 . . . . 10.0 111.887 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.616 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 3.4 m-20 -59.2 -49.71 76.81 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 113.724 -1.58 . . . . 10.0 107.653 174.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.669 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -89.72 6.08 43.08 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 114.219 1.192 . . . . 10.0 114.219 -174.376 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.584 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 1.1 m-30 -39.84 -56.9 1.68 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 114.624 1.342 . . . . 10.0 114.624 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 3.7 pttt -174.94 -143.61 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.329 0.513 . . . . 10.0 112.168 -177.375 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.435 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 1.0 OUTLIER -56.45 -14.34 2.96 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.977 0.732 . . . . 10.0 112.977 -179.179 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -81.85 6.25 16.28 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.835 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.4 t -72.03 -110.68 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.089 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.467 ' N ' ' OG ' ' A' ' 67' ' ' SER . 1.0 OUTLIER -101.23 -65.38 0.98 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.717 0.636 . . . . 10.0 112.717 -178.411 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -104.25 -70.49 0.77 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.025 0.75 . . . . 10.0 113.025 -177.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -144.71 -6.0 0.71 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.392 -0.523 . . . . 10.0 112.175 -177.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.993 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -140.08 -159.32 0.94 Allowed 'General case' 0 C--O 1.214 -0.813 0 CA-C-O 118.325 -0.845 . . . . 10.0 110.002 -179.059 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.993 HD12 HD13 ' A' ' 71' ' ' LEU . 1.4 mp -64.63 -171.29 0.06 Allowed 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 122.425 1.107 . . . . 10.0 110.19 -176.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.67 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 4.4 mmmm -87.9 100.21 12.71 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 103.307 -2.849 . . . . 10.0 103.307 170.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.522 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 1.8 pm0 -48.78 -7.06 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 116.722 2.119 . . . . 10.0 116.722 -176.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -107.26 19.53 20.22 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.368 0.604 . . . . 10.0 110.57 175.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.428 ' HB3' ' OG ' ' A' ' 62' ' ' SER . . . -142.51 142.6 32.27 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 123.424 1.583 . . . . 10.0 109.508 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.539 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -145.42 150.69 45.13 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 110.985 -2.825 . . . . 10.0 108.361 -177.831 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.596 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 1.3 Cg_endo -46.74 119.64 3.44 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 123.403 2.735 . . . . 10.0 107.677 177.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 t -124.67 -11.29 7.28 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 113.747 -1.569 . . . . 10.0 109.497 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.451 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -91.74 6.9 5.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.8 -176.133 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.514 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 2.2 m-30 -39.45 -48.39 1.96 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.765 1.024 . . . . 10.0 113.765 -177.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.455 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -173.26 170.85 4.2 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.216 -0.29 . . . . 10.0 110.216 -179.404 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -75.64 -66.3 0.79 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.998 0.427 . . . . 10.0 109.888 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.425 HD12 HG12 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -144.36 -73.55 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.092 179.763 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.425 HG12 HD12 ' A' ' 84' ' ' LEU . 2.8 p -157.45 129.94 4.25 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.007 -0.368 . . . . 10.0 110.007 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 4.8 Cg_exo -69.37 155.68 66.55 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 122.625 2.217 . . . . 10.0 111.875 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.425 ' HD3' ' O ' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.598 -0.715 . . . . 10.0 109.856 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.803 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.432 -0.529 0 O4'-C1'-C2' 107.034 0.849 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.803 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-N19 108.741 1.177 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.867 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 O4'-C1'-N19 108.998 1.497 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.867 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 O4'-C1'-N19 108.731 1.164 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.773 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C1'-N19 108.512 0.891 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.773 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 O4'-C1'-C2' 107.233 1.03 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 1.005 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.511 -0.7 0 O4'-C1'-N19 109.398 1.998 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 1.005 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 O4'-C1'-N19 108.918 1.398 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.464 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.419 -1.337 0 O4'-C1'-N19 109.419 2.024 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.731 H2'' HG21 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.421 -1.196 0 O4'-C1'-N19 109.637 2.296 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.443 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 O3'-P-O5' 100.698 -1.738 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.518 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C2'-C3'-O3' 113.162 0.949 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.595 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.995 0 C2'-C3'-O3' 112.888 0.848 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.926 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 O4'-C1'-C2' 107.076 0.888 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.15 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.443 0.89 0 O4'-C1'-N19 109.722 2.403 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.15 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.45 2.335 2 N19-C1'-C2' 103.893 -6.442 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.637 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-N19 109.303 1.878 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.821 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 O4'-C1'-N19 108.666 1.083 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.873 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.584 0 O4'-C1'-C2' 107.183 0.985 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.873 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O4'-C1'-C2' 107.35 1.136 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.48 ' C8 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 O4'-C1'-C2' 107.268 1.062 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.677 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.42 -1.259 0 O4'-C1'-N19 109.308 1.884 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.714 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O3'-P-O5' 100.934 -1.613 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-N19 109.124 1.655 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . 0.446 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-N19 108.962 1.452 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.577 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 O3'-P-O5' 101.359 -1.39 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.577 ' C8 ' H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-C2' 107.09 0.9 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.522 ' C6 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O4'-C1'-N19 109.04 1.55 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.458 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O4'-C1'-N19 108.786 1.232 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.461 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O3'-P-O5' 102.271 -0.91 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.495 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 O4'-C1'-C2' 107.148 0.953 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.495 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 O4'-C1'-C2' 107.066 0.878 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.447 ' SD ' ' HG2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.778 HG11 " H2'" ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -69.15 -37.87 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.638 0 N-CA-C 112.078 0.399 . . . . 10.0 112.078 -178.911 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.449 ' NE2' ' H41' ' B' ' 12' ' ' ' DC' . 38.1 mt-30 -51.37 -50.25 59.92 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 107.807 -1.183 . . . . 10.0 107.807 177.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.514 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 1.6 t 179.73 168.57 1.18 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.421 -1.263 . . . . 10.0 109.113 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.431 ' C ' ' H ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -77.8 170.93 15.75 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 123.414 1.578 . . . . 10.0 107.855 -175.156 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.602 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 1.2 m -78.44 16.28 0.84 Allowed 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 110.679 -2.964 . . . . 10.0 109.435 178.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.431 ' H ' ' C ' ' A' ' 5' ' ' CYS . . . -80.65 -146.39 0.05 Allowed 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 114.611 -1.177 . . . . 10.0 108.941 -177.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.409 ' CE1' ' HG2' ' A' ' 42' ' ' ARG . 2.9 t80 -123.15 80.12 1.74 Allowed 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.437 0.637 . . . . 10.0 109.981 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.13 23.08 50.19 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.364 -0.835 . . . . 10.0 114.413 177.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.464 ' SG ' ' HB2' ' A' ' 12' ' ' ASN . 26.5 t -85.74 73.94 10.31 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 111.911 0.337 . . . . 10.0 111.911 -179.123 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.514 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 17.1 mmtp -72.57 64.09 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.664 -1.236 . . . . 10.0 107.664 176.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.464 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 4.9 m-20 -94.51 29.84 2.16 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 121.939 -0.476 . . . . 10.0 111.544 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -24.2 134.63 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.204 0 O-C-N 125.124 1.515 . . . . 10.0 111.588 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -40.23 109.57 0.12 Allowed 'General case' 0 C--N 1.346 0.422 0 O-C-N 123.809 0.693 . . . . 10.0 111.852 -177.314 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 42.7 t0 -134.19 108.85 8.51 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 104.853 -2.277 . . . . 10.0 104.853 177.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.461 ' HD3' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -57.28 -15.6 6.53 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 113.999 -1.455 . . . . 10.0 111.631 179.218 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.4 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 8.9 m-20 -72.73 -24.39 60.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.061 -0.972 . . . . 10.0 109.248 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -106.14 149.23 37.9 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 114.946 -1.025 . . . . 10.0 108.251 179.416 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -90.53 75.74 0.89 Allowed 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 121.373 1.382 . . . . 10.0 115.622 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.59 143.53 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 121.76 0.791 . . . . 10.0 111.764 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 p -105.58 166.69 10.27 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 114.886 -1.052 . . . . 10.0 108.619 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -121.03 101.27 7.56 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 117.985 2.587 . . . . 10.0 117.985 -177.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.669 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.72 164.82 11.91 Favored 'General case' 0 C--O 1.195 -1.816 0 N-CA-C 115.196 1.554 . . . . 10.0 115.196 -170.4 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.834 ' HD3' ' H72' ' B' ' 8' ' ' ' DT' . 23.5 mtpt -96.21 165.03 12.42 Favored 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 119.078 -1.049 . . . . 10.0 111.513 177.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.826 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.5 m-85 -58.76 158.17 17.05 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 118.58 0.627 . . . . 10.0 110.698 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.666 ' HB3' HD13 ' A' ' 72' ' ' LEU . 41.2 Cg_endo -79.72 68.03 8.42 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.826 2.351 . . . . 10.0 108.719 177.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.695 HD21 ' HG3' ' A' ' 49' ' ' LYS . 9.1 mt -49.37 -38.42 28.48 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 112.401 -2.181 . . . . 10.0 115.506 -176.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 p -88.41 2.49 52.57 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 110.07 -3.241 . . . . 10.0 113.029 -175.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.431 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.29 59.58 46.41 Favored Pre-proline 0 N--CA 1.448 -0.546 0 N-CA-C 105.528 -2.026 . . . . 10.0 105.528 174.854 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.478 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 7.5 Cg_endo -47.41 -56.44 3.06 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.991 3.127 . . . . 10.0 116.412 -174.245 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.75 -44.23 63.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 118.569 0.622 . . . . 10.0 109.773 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.415 HD21 ' O ' ' A' ' 76' ' ' ALA . 1.8 tm? -70.39 -33.73 71.74 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.92 -1.037 . . . . 10.0 108.45 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.826 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 24.6 t -63.08 -37.57 87.73 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 106.943 -1.503 . . . . 10.0 106.943 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -26.06 65.44 Favored 'General case' 0 N--CA 1.434 -1.25 0 N-CA-C 113.48 0.919 . . . . 10.0 113.48 -176.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.481 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -73.63 -23.14 59.85 Favored 'General case' 0 CA--C 1.498 -1.041 0 C-N-CA 115.789 -2.364 . . . . 10.0 108.582 179.282 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.68 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.1 m0 -57.58 -30.78 65.56 Favored 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 106.267 -1.753 . . . . 10.0 106.267 178.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -54.25 -49.0 70.53 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 123.946 1.832 . . . . 10.0 109.879 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -55.28 -35.83 65.46 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 110.192 -3.186 . . . . 10.0 112.468 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.38 -13.3 49.84 Favored 'General case' 0 C--N 1.312 -1.046 0 C-N-CA 120.422 -0.511 . . . . 10.0 110.976 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 36' ' ' TRP . 12.5 t -91.83 37.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 122.53 1.157 . . . . 10.0 108.015 173.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.3 13.82 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.872 1.804 . . . . 10.0 115.872 -177.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.437 ' HA ' ' HD2' ' A' ' 42' ' ' ARG . 3.5 tpt180 -97.57 148.47 23.24 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 121.274 -0.891 . . . . 10.0 111.729 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.9 tttm -52.38 -44.58 65.37 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.136 0.493 . . . . 10.0 110.042 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -82.36 64.14 6.88 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.378 -0.828 . . . . 10.0 110.579 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.482 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 15.5 t80 -57.09 118.65 5.23 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.2 -1.037 . . . . 10.0 108.2 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.602 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -60.98 -172.32 0.04 OUTLIER Pre-proline 0 C--O 1.215 -0.735 0 CA-C-N 115.037 -0.983 . . . . 10.0 111.086 179.678 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.784 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 74.7 Cg_exo -44.78 177.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 122.823 2.349 . . . . 10.0 112.705 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.58 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 34.5 p -82.12 -155.12 0.13 Allowed 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 102.649 -3.093 . . . . 10.0 102.649 172.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.695 ' HG3' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -90.46 0.0 57.48 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 112.627 -2.079 . . . . 10.0 114.107 -173.77 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.724 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 68.4 m-85 -79.17 -32.65 44.26 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 105.664 -1.976 . . . . 10.0 105.664 173.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.784 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 14.4 p -61.66 172.58 1.2 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 120.571 1.532 . . . . 10.0 109.391 175.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.648 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -109.55 159.58 16.96 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.377 -1.283 . . . . 10.0 110.223 -178.665 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.648 HD12 ' C ' ' A' ' 52' ' ' SER . 2.8 mp -129.68 158.54 42.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 N-CA-C 107.541 -1.281 . . . . 10.0 107.541 -176.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.533 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.9 p -106.5 155.82 19.2 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.957 1.253 . . . . 10.0 112.214 178.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.693 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 13.2 p -49.74 -42.34 45.95 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 118.311 2.708 . . . . 10.0 118.311 -173.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -14.7 2.79 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 114.556 1.317 . . . . 10.0 114.556 -176.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.56 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 85.9 m-70 -83.74 -17.18 42.11 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 114.178 1.177 . . . . 10.0 114.178 -177.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.558 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -125.18 174.74 7.87 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 108.986 -0.746 . . . . 10.0 108.986 -179.589 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.19 140.63 49.34 Favored Pre-proline 0 N--CA 1.425 -1.677 0 N-CA-C 107.885 -1.154 . . . . 10.0 107.885 178.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.556 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 8.3 Cg_endo -48.47 -29.93 14.72 Favored 'Trans proline' 0 C--N 1.33 -0.43 0 C-N-CA 123.48 2.786 . . . . 10.0 112.395 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.565 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 1.7 m-20 -57.48 -49.56 75.89 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.939 -1.482 . . . . 10.0 109.305 177.263 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.558 ' CB ' ' HG2' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -92.77 4.87 52.99 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 114.235 -1.348 . . . . 10.0 113.519 -174.491 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.693 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 0.4 OUTLIER -35.33 -54.6 0.65 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 114.137 1.162 . . . . 10.0 114.137 179.666 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.512 ' HD2' ' OP1' ' B' ' 8' ' ' ' DT' . 10.9 pttp -176.71 -138.32 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 118.512 0.596 . . . . 10.0 112.435 -178.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.557 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 3.4 ptm180 -63.25 -14.18 46.44 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.628 0.603 . . . . 10.0 112.628 -177.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.411 ' OE1' ' HG3' ' A' ' 64' ' ' LYS . 4.4 mp0 -86.38 6.7 28.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.937 0.399 . . . . 10.0 109.957 178.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.784 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.3 t -66.73 -101.86 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.359 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -101.66 -69.55 0.78 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.693 0.282 . . . . 10.0 111.264 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -102.5 -70.74 0.74 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.678 -0.409 . . . . 10.0 111.831 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.455 ' NZ ' " H5'" ' C' ' 30' ' ' ' DA' . 0.0 OUTLIER -145.98 2.98 0.92 Allowed 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.397 0.517 . . . . 10.0 112.397 -179.057 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.784 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -144.23 -167.04 2.52 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-O 118.467 -0.778 . . . . 10.0 109.352 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.704 HD12 HD13 ' A' ' 71' ' ' LEU . 3.9 mp -63.78 -173.95 0.09 Allowed 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 122.67 1.224 . . . . 10.0 110.271 -175.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.633 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -88.46 106.03 18.0 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 104.008 -2.59 . . . . 10.0 104.008 170.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.431 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -49.81 -7.09 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 116.316 1.969 . . . . 10.0 116.316 -177.846 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -108.71 16.05 23.16 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.979 176.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.415 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -137.87 143.72 41.04 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 123.589 1.662 . . . . 10.0 109.925 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.415 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -147.11 148.77 33.24 Favored Pre-proline 0 CA--C 1.538 0.518 0 CA-C-N 110.674 -2.966 . . . . 10.0 108.719 -177.499 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.561 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 1.6 Cg_endo -44.96 120.65 3.04 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 123.595 2.863 . . . . 10.0 108.148 177.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t -123.97 -10.27 7.69 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 113.75 -1.568 . . . . 10.0 109.774 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.467 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.9 OUTLIER -94.61 6.74 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.642 -176.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.56 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.8 m-30 -40.05 -50.41 2.58 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.731 1.011 . . . . 10.0 113.731 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -169.04 160.45 9.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.605 0.24 . . . . 10.0 110.578 -179.353 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -72.3 -50.42 27.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.519 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.45 -70.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.675 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.464 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.4 p -151.8 132.05 7.22 Favored Pre-proline 0 N--CA 1.45 -0.457 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.997 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 4.2 Cg_exo -72.14 155.58 56.51 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.341 2.027 . . . . 10.0 112.004 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.093 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.93 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.513 -0.461 0 O4'-C1'-C2' 106.928 0.753 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.93 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-N19 108.822 1.277 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.829 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.028 0 O4'-C1'-N19 108.643 1.053 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.829 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.052 0 O4'-C4'-C3' 104.527 -1.073 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.763 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O4'-C4'-C3' 104.773 -0.827 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.763 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 O4'-C1'-C2' 107.298 1.089 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 1.024 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 O4'-C1'-N19 109.351 1.939 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 1.024 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.521 -0.709 0 C5'-C4'-C3' 112.802 -1.265 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.462 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.422 -1.134 0 O4'-C1'-N19 109.424 2.03 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.778 " H2'" HG11 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.423 -1.047 0 O4'-C1'-N19 109.981 2.726 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.529 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.1 0 O3'-P-O5' 100.36 -1.916 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.529 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 P-O5'-C5' 119.187 -1.071 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.63 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C5'-C4'-C3' 116.039 0.892 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.87 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.603 0 O4'-C1'-C2' 107.167 0.97 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.124 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.018 0 O4'-C1'-N19 109.771 2.464 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.124 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.453 2.517 2 N19-C1'-C2' 104.099 -6.313 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.725 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O4'-C1'-N19 109.219 1.773 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.763 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C4'-C3' 104.458 -1.142 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.846 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 O4'-C1'-N19 108.459 0.824 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.846 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 O4'-C1'-C2' 107.485 1.259 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.529 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.423 -1.069 0 O4'-C1'-N19 108.837 1.297 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.724 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.42 -1.256 0 O4'-C1'-N19 109.238 1.797 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.697 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O3'-P-O5' 100.454 -1.866 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 O4'-C1'-N19 108.955 1.444 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . 0.47 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 O4'-C1'-N19 108.978 1.472 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.47 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 O4'-C1'-N19 108.961 1.451 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.665 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C4'-C3' 104.69 -0.91 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.665 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 O4'-C1'-C2' 107.099 0.908 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.638 H2'' ' C8 ' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O4'-C1'-N19 108.629 1.037 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.638 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-N19 109.088 1.61 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.555 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 O4'-C1'-C2' 107.11 0.918 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.555 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 O4'-C1'-C2' 106.877 0.706 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.408 ' SD ' ' HB2' ' A' ' 3' ' ' GLN . 13.8 ptp . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 109.878 -0.416 . . . . 10.0 109.878 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.558 HG22 ' OP2' ' B' ' 11' ' ' ' DG' . 32.9 m -79.68 -14.63 13.26 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.493 0 C-N-CA 120.873 -0.331 . . . . 10.0 110.274 179.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.492 ' NE2' ' H73' ' C' ' 20' ' ' ' DT' . 43.9 mt-30 -50.85 -64.23 0.87 Allowed 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 123.819 0.699 . . . . 10.0 110.4 -178.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.616 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 176.08 171.56 0.39 Allowed 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.37 0.419 . . . . 10.0 111.207 178.536 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.05 163.66 24.02 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 107.096 -1.446 . . . . 10.0 107.096 -177.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.576 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 7.5 t -71.93 2.31 5.8 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 113.412 -1.722 . . . . 10.0 111.709 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.84 -150.54 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.885 0.85 . . . . 10.0 112.625 178.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.606 ' CE1' ' HD3' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -114.42 73.65 0.84 Allowed 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 121.239 -0.913 . . . . 10.0 109.381 -178.429 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.52 21.73 53.05 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.537 -0.839 . . . . 10.0 114.485 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 36.6 t -80.84 75.24 7.78 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 117.636 0.718 . . . . 10.0 112.145 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.616 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 17.5 mttt -72.17 65.33 0.58 Allowed 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.558 -0.904 . . . . 10.0 108.558 176.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -88.27 31.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.129 -0.357 . . . . 10.0 111.459 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -24.9 134.06 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 O-C-N 124.526 1.141 . . . . 10.0 111.706 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.53 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -44.35 111.05 0.26 Allowed 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.962 0.886 . . . . 10.0 111.378 -178.368 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.448 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 51.5 t0 -136.59 109.7 7.75 Favored 'General case' 0 N--CA 1.435 -1.206 0 CA-C-N 113.282 -1.781 . . . . 10.0 106.239 177.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -15.98 38.96 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.703 0.763 . . . . 10.0 111.09 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.448 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -72.86 -24.66 60.9 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 114.707 -1.133 . . . . 10.0 109.248 179.361 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -103.11 147.38 34.04 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 114.578 -1.192 . . . . 10.0 108.373 178.718 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -91.46 75.92 0.62 Allowed 'Trans proline' 0 CA--C 1.533 0.461 0 N-CA-C 116.48 1.685 . . . . 10.0 116.48 -177.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 m -143.98 145.89 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.38 0.61 . . . . 10.0 111.409 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 p -105.36 166.63 10.29 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.337 -0.847 . . . . 10.0 108.725 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.53 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -116.42 102.22 9.33 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 117.189 2.292 . . . . 10.0 117.189 -176.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.61 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -107.29 161.24 14.97 Favored 'General case' 0 C--O 1.2 -1.543 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 -171.063 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.595 ' HB2' ' H73' ' B' ' 8' ' ' ' DT' . 17.1 mtpt -94.81 163.16 13.46 Favored 'General case' 0 C--N 1.312 -1.064 0 C-N-CA 119.356 -0.938 . . . . 10.0 110.972 177.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.856 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.1 m-85 -58.48 158.1 16.11 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 118.323 0.51 . . . . 10.0 111.162 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.651 ' HB3' HD13 ' A' ' 72' ' ' LEU . 59.7 Cg_endo -78.21 67.05 8.28 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.057 2.505 . . . . 10.0 108.933 178.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.487 HD21 ' HG3' ' A' ' 49' ' ' LYS . 16.3 mt -49.23 -39.04 28.53 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 112.133 -2.303 . . . . 10.0 115.908 -176.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 p -89.53 2.49 54.53 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 110.242 -3.163 . . . . 10.0 112.937 -175.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.478 ' HD3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -131.63 58.61 39.18 Favored Pre-proline 0 N--CA 1.447 -0.615 0 N-CA-C 105.517 -2.031 . . . . 10.0 105.517 174.341 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.401 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 9.5 Cg_endo -48.5 -50.54 12.08 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.886 3.058 . . . . 10.0 115.729 -174.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -47.6 63.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.478 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . 1.2 tm? -69.76 -34.02 73.21 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.394 -0.965 . . . . 10.0 108.394 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.856 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 8.8 t -62.69 -37.06 84.98 Favored 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 107.742 -1.207 . . . . 10.0 107.742 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -69.36 -23.91 63.82 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 -176.316 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -75.73 -22.57 56.43 Favored 'General case' 0 CA--C 1.491 -1.319 0 C-N-CA 116.434 -2.106 . . . . 10.0 108.638 179.21 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.692 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.3 m0 -58.83 -26.81 64.51 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 105.265 -2.124 . . . . 10.0 105.265 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -55.23 -48.87 73.28 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-O 123.807 1.765 . . . . 10.0 109.866 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -55.82 -32.44 63.57 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 110.425 -3.08 . . . . 10.0 112.785 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.407 ' O ' ' HD2' ' A' ' 81' ' ' PHE . . . -87.84 -16.97 32.57 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 120.397 -0.521 . . . . 10.0 110.747 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 36' ' ' TRP . 16.2 t -91.85 34.79 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 N-CA-C 107.659 -1.237 . . . . 10.0 107.659 174.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.3 12.6 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.303 1.594 . . . . 10.0 115.303 -176.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.606 ' HD3' ' CE1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -80.09 145.95 32.15 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.888 -0.508 . . . . 10.0 109.798 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.4 tttt -53.69 -54.38 38.69 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.535 0.683 . . . . 10.0 109.797 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.456 ' OD1' ' HG3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -82.82 66.28 8.36 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 115.291 -0.868 . . . . 10.0 108.957 179.176 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.623 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -50.25 120.87 4.88 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.65 -0.87 . . . . 10.0 108.65 178.342 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.623 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -58.63 -172.77 0.04 OUTLIER Pre-proline 0 C--O 1.22 -0.484 0 C-N-CA 124.464 1.105 . . . . 10.0 111.282 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.747 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 94.4 Cg_exo -44.74 175.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.967 1.778 . . . . 10.0 112.383 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.631 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 41.3 p -83.58 -153.35 0.13 Allowed 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 103.598 -2.742 . . . . 10.0 103.598 172.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.08 -2.09 58.05 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 112.387 -2.188 . . . . 10.0 113.647 -174.083 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.717 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 83.8 m-85 -78.04 -31.04 50.15 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 105.253 -2.128 . . . . 10.0 105.253 174.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.747 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 14.1 p -64.89 173.31 2.37 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 120.648 1.567 . . . . 10.0 109.39 174.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.679 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -111.91 162.58 15.17 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.226 -0.897 . . . . 10.0 109.971 -178.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.679 HD12 ' C ' ' A' ' 52' ' ' SER . 2.2 mp -131.06 159.1 43.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 C-N-CA 124.725 1.21 . . . . 10.0 108.23 -175.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.1 p -106.44 152.73 23.25 Favored 'General case' 0 CA--C 1.555 1.136 0 CA-C-N 119.439 1.018 . . . . 10.0 112.108 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.568 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 24.7 p -47.97 -42.34 27.4 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 118.689 2.848 . . . . 10.0 118.689 -173.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -14.75 2.7 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 114.287 1.217 . . . . 10.0 114.287 -176.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.446 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 74.7 m-70 -84.13 -16.98 41.63 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 114.568 1.322 . . . . 10.0 114.568 -177.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.454 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -126.65 174.16 8.93 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 118.323 0.51 . . . . 10.0 109.707 -179.206 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.63 141.6 60.55 Favored Pre-proline 0 N--CA 1.431 -1.387 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.62 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 10.2 Cg_endo -51.24 -32.75 42.09 Favored 'Trans proline' 0 C--N 1.324 -0.727 0 C-N-CA 123.433 2.756 . . . . 10.0 112.921 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -60.94 -43.75 98.21 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 114.553 -1.203 . . . . 10.0 108.722 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.488 ' OG ' ' HB2' ' A' ' 73' ' ' LYS . 1.5 t -93.31 3.17 56.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.815 -1.539 . . . . 10.0 114.085 -174.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.62 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -36.79 -60.11 0.64 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.431 1.271 . . . . 10.0 114.431 -179.227 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 1.1 pttt -168.97 -142.31 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 118.398 0.544 . . . . 10.0 112.126 -178.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.454 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 2.9 ptm180 -58.12 -14.5 6.95 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.121 0.786 . . . . 10.0 113.121 -178.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -85.06 7.6 20.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.134 0.492 . . . . 10.0 109.727 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.797 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.7 t -70.88 -105.92 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.411 -0.813 . . . . 10.0 111.906 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.451 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -103.1 -69.34 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.381 0.511 . . . . 10.0 112.381 -178.701 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -100.49 -71.94 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.99 -0.55 . . . . 10.0 112.359 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' HB2' ' HE2' ' A' ' 70' ' ' LYS . 3.4 tppt? -145.72 -2.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.665 -0.414 . . . . 10.0 111.714 -178.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.797 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -140.42 -161.74 1.25 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 -178.709 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.718 HD12 HD13 ' A' ' 71' ' ' LEU . 4.2 mp -63.33 -169.0 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 123.691 1.71 . . . . 10.0 110.655 -177.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.679 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -86.2 101.72 13.27 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 103.066 -2.939 . . . . 10.0 103.066 171.773 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.404 ' HB2' HH11 ' A' ' 29' ' ' ARG . 0.1 OUTLIER -50.62 -10.89 0.07 Allowed 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 115.16 1.541 . . . . 10.0 115.16 -177.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -108.23 18.38 21.15 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.903 -1.044 . . . . 10.0 111.096 176.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.6 144.86 34.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 123.971 1.843 . . . . 10.0 110.722 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.491 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -145.3 150.96 46.51 Favored Pre-proline 0 N--CA 1.45 -0.472 0 CA-C-N 110.445 -3.071 . . . . 10.0 108.015 -178.225 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.496 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 1.8 Cg_endo -46.33 121.46 4.62 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.369 2.713 . . . . 10.0 108.099 177.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.12 -12.23 7.44 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.043 -1.435 . . . . 10.0 109.852 177.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.444 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 1.2 mm -89.1 6.68 3.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.181 -176.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.648 ' HE2' HG22 ' A' ' 40' ' ' VAL . 2.6 m-30 -40.0 -50.73 2.56 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.016 1.117 . . . . 10.0 114.016 -177.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.404 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -171.8 157.25 4.5 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.785 0.326 . . . . 10.0 110.961 -178.513 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -68.12 -54.27 19.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.228 -0.897 . . . . 10.0 109.413 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -161.12 -73.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.987 -0.552 . . . . 10.0 110.337 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.441 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 4.2 p -151.23 136.35 10.37 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.619 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 16.2 Cg_exo -66.65 176.0 4.7 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.001 2.467 . . . . 10.0 111.805 178.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.931 0 CA-C-O 117.979 -1.01 . . . . 10.0 109.721 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.851 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.432 -0.517 0 O4'-C1'-C2' 106.913 0.739 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.851 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-N19 109.12 1.65 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.858 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O4'-C1'-N19 109.076 1.595 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.858 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.049 0 O4'-C1'-N19 108.893 1.366 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.673 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.591 0 O4'-C1'-C2' 107.025 0.841 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.771 " H1'" ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C1'-N19 108.728 1.16 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 1.042 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 O4'-C1'-N19 109.355 1.943 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 1.042 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C5'-C4'-C3' 112.797 -1.269 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.459 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.421 -1.181 0 O4'-C1'-N19 109.451 2.064 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.525 H2'' ' OP2' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.227 0 O4'-C1'-N19 109.517 2.146 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.708 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.065 0 O3'-P-O5' 100.806 -1.681 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.708 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 C2'-C3'-O3' 113.641 1.126 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.693 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-C2' 106.991 0.81 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.825 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 O4'-C1'-C2' 107.217 1.015 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.115 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 0.977 0 O4'-C1'-N19 109.81 2.512 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.115 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.453 2.518 2 N19-C1'-C2' 103.904 -6.435 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.73 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 O4'-C1'-N19 109.193 1.741 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.764 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.671 0 O4'-C1'-N19 108.767 1.209 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.795 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 O4'-C1'-C2' 107.063 0.876 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.795 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O4'-C1'-C2' 107.539 1.308 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.49 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C1'-C2' 107.394 1.176 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.696 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.419 -1.295 0 O4'-C1'-N19 109.199 1.748 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.717 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O3'-P-O5' 100.806 -1.681 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 O4'-C1'-N19 109.318 1.898 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . 0.526 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.061 0 O4'-C1'-N19 108.812 1.265 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.627 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 O3'-P-O5' 101.308 -1.417 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.679 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C1'-C2' 107.142 0.947 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.679 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-N19 108.976 1.471 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.478 H2'' ' C8 ' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 O4'-C1'-N19 108.718 1.148 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.5 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C4'-C3' 104.452 -1.148 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.52 H2'' ' C6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 O4'-C1'-C2' 107.174 0.976 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.52 ' C6 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C1'-C2' 107.054 0.867 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.506 ' SD ' ' H72' ' C' ' 20' ' ' ' DT' . 58.9 mtp . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.741 HG21 " C2'" ' B' ' 10' ' ' ' DG' . 0.6 OUTLIER -71.62 -28.37 31.02 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 109.014 -0.735 . . . . 10.0 109.014 177.573 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.507 ' NE2' ' H73' ' C' ' 20' ' ' ' DT' . 17.5 mt-30 -62.47 -44.19 96.99 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.632 -1.247 . . . . 10.0 107.632 177.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.662 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -175.28 158.14 2.32 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.247 -0.888 . . . . 10.0 110.51 178.778 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.518 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 4.1 m -79.37 164.94 23.63 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 106.894 -1.521 . . . . 10.0 106.894 -176.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.566 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 5.4 t -74.77 2.42 10.13 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 113.273 -1.785 . . . . 10.0 111.613 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.92 -147.79 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.69 0.757 . . . . 10.0 112.49 177.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.517 ' CD1' ' HD3' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -112.2 69.28 0.69 Allowed 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.526 -0.916 . . . . 10.0 108.526 -179.303 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.87 34.7 8.79 Favored Glycine 0 N--CA 1.444 -0.804 0 N-CA-C 115.346 0.898 . . . . 10.0 115.346 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.4 t -90.67 77.3 6.37 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 117.75 0.775 . . . . 10.0 113.024 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.662 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 68.6 mttt -75.09 63.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.851 -1.166 . . . . 10.0 107.851 175.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.26 26.35 1.22 Allowed 'General case' 0 C--N 1.318 -0.788 0 O-C-N 121.473 -0.767 . . . . 10.0 111.275 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -24.94 129.57 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.94 1.4 . . . . 10.0 110.471 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.418 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -31.49 108.98 0.05 Allowed 'General case' 0 N--CA 1.471 0.598 0 O-C-N 124.169 0.918 . . . . 10.0 113.379 -176.041 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.418 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 18.6 t70 -137.08 108.7 6.97 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 106.108 -1.812 . . . . 10.0 106.108 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -22.63 66.58 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.12 -0.945 . . . . 10.0 110.432 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -61.76 -27.44 68.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.438 -1.256 . . . . 10.0 108.871 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.522 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -103.91 142.29 24.29 Favored Pre-proline 0 N--CA 1.447 -0.589 0 CA-C-N 114.237 -1.347 . . . . 10.0 107.943 178.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -88.22 77.66 1.51 Allowed 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 121.553 1.502 . . . . 10.0 115.459 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.522 HG13 ' HG3' ' A' ' 18' ' ' LYS . 1.8 m -144.92 146.92 19.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 121.222 0.534 . . . . 10.0 111.975 177.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.04 168.53 9.07 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.058 -1.09 . . . . 10.0 108.058 176.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.418 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -116.03 102.75 9.92 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 117.478 2.399 . . . . 10.0 117.478 -176.595 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.6 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -107.18 157.97 17.47 Favored 'General case' 0 C--O 1.196 -1.727 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 -172.229 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.527 ' HD3' ' H72' ' B' ' 8' ' ' ' DT' . 5.5 mtpt -95.91 165.53 12.23 Favored 'General case' 0 C--N 1.311 -1.068 0 C-N-CA 119.083 -1.047 . . . . 10.0 111.839 178.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.868 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.6 m-85 -56.62 156.47 12.0 Favored Pre-proline 0 N--CA 1.47 0.55 0 CA-C-N 118.913 0.778 . . . . 10.0 111.749 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.632 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 63.9 Cg_endo -77.85 67.63 7.94 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.092 2.528 . . . . 10.0 109.12 177.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.603 HD21 ' HG3' ' A' ' 49' ' ' LYS . 8.6 mt -50.22 -36.69 31.95 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-O 124.389 2.042 . . . . 10.0 115.236 -176.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.1 p -88.43 1.05 55.53 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 109.554 -3.476 . . . . 10.0 113.093 -175.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.537 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.78 59.19 44.29 Favored Pre-proline 0 N--CA 1.441 -0.877 0 N-CA-C 105.916 -1.883 . . . . 10.0 105.916 175.035 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.469 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.4 Cg_endo -47.15 -55.84 3.56 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.871 3.047 . . . . 10.0 115.933 -174.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m -50.97 -44.93 60.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.418 0.628 . . . . 10.0 109.95 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.461 HD21 ' O ' ' A' ' 76' ' ' ALA . 1.1 tm? -70.01 -35.79 74.62 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.981 -1.009 . . . . 10.0 108.477 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.868 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 35.4 t -62.19 -36.91 83.34 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 106.965 -1.494 . . . . 10.0 106.965 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -26.12 65.49 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 113.826 1.047 . . . . 10.0 113.826 -176.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -74.71 -22.08 59.03 Favored 'General case' 0 CA--C 1.493 -1.239 0 C-N-CA 115.774 -2.371 . . . . 10.0 109.187 178.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.631 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.7 m0 -58.53 -28.74 65.73 Favored 'General case' 0 N--CA 1.437 -1.111 0 N-CA-C 105.865 -1.902 . . . . 10.0 105.865 178.167 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -55.18 -47.96 74.48 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 123.628 1.68 . . . . 10.0 110.096 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.95 -34.9 63.68 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 110.643 -2.98 . . . . 10.0 112.38 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.423 ' O ' ' HD2' ' A' ' 81' ' ' PHE . . . -87.33 -16.18 35.82 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 120.382 -0.527 . . . . 10.0 110.055 -179.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 36' ' ' TRP . 26.2 t -91.93 35.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 107.55 -1.278 . . . . 10.0 107.55 174.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.61 9.56 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 114.488 -1.233 . . . . 10.0 114.148 -178.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.517 ' HD3' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -73.57 135.68 43.94 Favored 'General case' 0 C--N 1.312 -1.056 0 O-C-N 122.15 -0.344 . . . . 10.0 110.359 179.615 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.655 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -51.84 -47.32 64.44 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.568 0.699 . . . . 10.0 109.505 178.685 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.655 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -87.21 66.5 9.28 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 114.911 -1.04 . . . . 10.0 108.704 179.12 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.65 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 1.8 t80 -49.36 120.23 3.94 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.423 -0.808 . . . . 10.0 109.531 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.65 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -61.22 -172.08 0.04 OUTLIER Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 114.634 -1.166 . . . . 10.0 110.242 179.088 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.744 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 85.0 Cg_exo -45.4 175.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.123 1.882 . . . . 10.0 112.407 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.634 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 41.0 p -82.73 -153.65 0.12 Allowed 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 103.435 -2.802 . . . . 10.0 103.435 173.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.603 ' HG3' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -90.08 -4.64 57.24 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 111.552 -2.567 . . . . 10.0 113.765 -173.61 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.71 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 58.3 m-85 -77.43 -30.92 53.65 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 105.145 -2.168 . . . . 10.0 105.145 174.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.744 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 15.3 p -64.47 173.59 2.05 Favored 'General case' 0 C--N 1.314 -0.959 0 C-N-CA 117.572 -1.651 . . . . 10.0 109.072 174.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.594 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.67 163.2 13.7 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.52 -1.218 . . . . 10.0 110.209 -178.044 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.594 HD12 ' C ' ' A' ' 52' ' ' SER . 3.4 mp -131.56 157.78 43.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 107.373 -1.343 . . . . 10.0 107.373 -176.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.0 p -107.14 160.3 15.68 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.842 1.201 . . . . 10.0 111.352 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.536 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 1.5 p -56.3 -37.33 69.75 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 118.863 2.912 . . . . 10.0 118.863 -172.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -14.64 2.16 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.132 1.16 . . . . 10.0 114.132 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.479 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 92.8 m-70 -86.76 -15.59 38.92 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.745 1.387 . . . . 10.0 114.745 -177.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.58 140.8 39.15 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 118.418 0.554 . . . . 10.0 111.441 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.407 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 1.1 p -43.5 136.08 3.31 Favored Pre-proline 0 N--CA 1.43 -1.436 0 CA-C-N 114.186 -1.37 . . . . 10.0 110.847 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.706 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 8.3 Cg_endo -49.8 -29.23 19.76 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 122.971 2.447 . . . . 10.0 112.158 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.662 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -61.1 -48.6 80.93 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 113.508 -1.678 . . . . 10.0 107.5 175.118 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.616 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -91.19 6.38 45.32 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 114.06 1.133 . . . . 10.0 114.06 -174.79 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.706 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -38.71 -59.99 0.88 Allowed 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.896 -1.047 . . . . 10.0 113.545 179.787 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.633 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 15.0 pttp -175.49 -135.36 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.374 0.509 . . . . 10.0 112.374 -177.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -58.46 -13.4 5.43 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.385 0.674 . . . . 10.0 112.784 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -83.08 5.06 23.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.702 0.287 . . . . 10.0 110.431 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.857 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.4 t -68.63 -110.36 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.362 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.459 ' N ' ' OG ' ' A' ' 67' ' ' SER . 9.7 t30 -101.4 -69.04 0.79 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.174 0.511 . . . . 10.0 111.495 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -94.63 -74.22 0.55 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.191 0.812 . . . . 10.0 113.191 -177.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.415 ' HB2' ' HE2' ' A' ' 70' ' ' LYS . 1.7 tppt? -147.99 0.53 0.63 Allowed 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.056 0.391 . . . . 10.0 112.056 -178.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.857 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -139.38 -162.96 1.4 Allowed 'General case' 0 C--O 1.212 -0.888 0 CA-C-O 118.241 -0.885 . . . . 10.0 109.407 -179.557 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.721 HD12 HD13 ' A' ' 71' ' ' LEU . 3.1 mp -65.29 -172.15 0.09 Allowed 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 122.909 1.338 . . . . 10.0 110.458 -176.021 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.662 ' HD3' ' O ' ' A' ' 61' ' ' ASP . 2.1 mmmm -89.04 103.11 15.75 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 103.73 -2.692 . . . . 10.0 103.73 170.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.537 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 2.1 pm0 -50.6 -4.57 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 115.915 1.82 . . . . 10.0 115.915 -178.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -109.09 17.8 21.27 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.576 176.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.461 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -143.66 146.65 33.4 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 123.42 1.581 . . . . 10.0 110.639 -178.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.523 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -148.72 150.32 32.94 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 110.848 -2.887 . . . . 10.0 108.558 -177.514 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.523 ' HD2' HG23 ' A' ' 77' ' ' VAL . 1.5 Cg_endo -46.35 121.73 4.89 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.622 2.882 . . . . 10.0 107.896 177.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -125.46 -10.99 6.87 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.293 -1.321 . . . . 10.0 109.762 176.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -90.14 5.75 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.126 -176.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.479 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 2.6 m-30 -39.35 -51.18 2.07 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.612 0.967 . . . . 10.0 113.612 -177.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.443 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -168.55 160.08 10.66 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 -179.492 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -73.03 -58.92 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.267 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.08 -64.79 0.14 Allowed 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.063 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.464 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.8 p -166.46 132.87 1.96 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.301 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 2.6 Cg_exo -73.04 171.27 17.89 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.939 2.426 . . . . 10.0 111.3 177.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.494 ' HD3' ' O ' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.812 -0.613 . . . . 10.0 110.718 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.812 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C4'-C3'-C2' 102.39 -0.81 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.817 H2'' ' H71' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-N19 108.713 1.142 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.817 ' H71' H2'' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-N19 108.658 1.073 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.804 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C1'-N19 108.613 1.017 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.728 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 O4'-C1'-N19 108.56 0.95 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.728 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-N19 108.661 1.076 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.994 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.587 0 O4'-C1'-N19 109.102 1.628 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.994 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-N19 108.918 1.398 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.442 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.239 0 O4'-C1'-N19 109.475 2.094 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.741 " C2'" HG21 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.416 -1.501 0 O4'-C1'-N19 109.473 2.092 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.677 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O3'-P-O5' 99.307 -2.47 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.677 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.005 0 O4'-C1'-N19 108.646 1.057 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.592 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 P-O5'-C5' 119.369 -0.957 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.777 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 O4'-C1'-C2' 107.011 0.828 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.187 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C1'-N19 109.4 2.0 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.187 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.451 2.38 2 N19-C1'-C2' 103.997 -6.377 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.698 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-N19 109.063 1.579 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.723 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C1'-N19 108.624 1.029 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.758 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 O4'-C1'-C2' 107.065 0.878 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.758 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.966 0 N19-C1'-C2' 116.54 1.463 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.533 ' OP2' ' HA ' ' A' ' 47' ' ' PRO . . . . . . . . 0 O5'--C5' 1.424 -0.999 0 O4'-C1'-C2' 107.09 0.9 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.68 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.419 -1.323 0 O4'-C1'-N19 109.336 1.921 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.71 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 O3'-P-O5' 101.011 -1.573 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-N19 109.176 1.72 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . 0.433 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.038 0 O4'-C1'-C2' 107.279 1.072 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.433 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 P-O5'-C5' 119.085 -1.135 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.699 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 O4'-C4'-C3' 104.464 -1.136 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.699 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 O4'-C1'-C2' 107.046 0.86 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.648 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 O4'-C4'-C3' 104.612 -0.988 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.55 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 P-O5'-C5' 119.264 -1.023 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.54 H2'' ' C6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 O4'-C1'-C2' 107.313 1.103 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.54 ' C6 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 O4'-C1'-C2' 107.119 0.926 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.627 ' HA ' ' H8 ' ' B' ' 10' ' ' ' DG' . 2.7 ptp . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.595 HG13 " H3'" ' B' ' 10' ' ' ' DG' . 7.5 m -79.52 -11.12 12.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 112.341 0.497 . . . . 10.0 112.341 -178.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.525 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 17.2 mt-30 -75.79 -68.37 0.58 Allowed 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 118.238 -1.385 . . . . 10.0 110.532 -178.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.578 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 174.41 173.78 0.19 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.022 0.439 . . . . 10.0 111.441 179.117 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.569 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -86.17 161.14 18.99 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 107.021 -1.474 . . . . 10.0 107.021 -177.673 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.561 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 10.6 t -69.67 3.28 2.57 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 113.562 -1.654 . . . . 10.0 112.733 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.71 -152.71 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.806 0.812 . . . . 10.0 112.752 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.436 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 1.0 OUTLIER -108.85 71.33 0.77 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 -178.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.74 28.56 38.13 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.523 -0.846 . . . . 10.0 113.083 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.3 t -83.58 74.33 10.13 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 117.92 0.86 . . . . 10.0 111.671 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.578 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 28.1 mmtp -68.75 63.87 0.11 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.934 -1.136 . . . . 10.0 107.934 176.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.53 30.67 0.7 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 118.585 0.629 . . . . 10.0 112.019 -179.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -22.93 134.68 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 O-C-N 125.248 1.592 . . . . 10.0 111.958 179.619 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.545 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -48.0 113.01 0.65 Allowed 'General case' 0 C--N 1.347 0.471 0 CA-C-O 122.185 0.993 . . . . 10.0 110.031 -178.595 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -140.57 113.69 8.44 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 105.061 -2.2 . . . . 10.0 105.061 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -17.26 37.56 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.669 0.747 . . . . 10.0 110.79 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.98 -27.65 66.77 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.523 -1.217 . . . . 10.0 109.58 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.68 147.66 33.94 Favored Pre-proline 0 C--N 1.328 -0.361 0 N-CA-C 108.454 -0.943 . . . . 10.0 108.454 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -90.69 75.42 0.85 Allowed 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 121.552 1.502 . . . . 10.0 115.867 -177.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.442 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 1.9 m -146.21 149.83 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 121.261 0.553 . . . . 10.0 112.311 178.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.7 p -108.43 168.52 9.26 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.114 -0.948 . . . . 10.0 108.595 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.545 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -120.03 101.51 7.9 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 117.045 2.239 . . . . 10.0 117.045 -177.772 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.708 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.19 163.0 13.38 Favored 'General case' 0 C--O 1.198 -1.61 0 N-CA-C 115.44 1.644 . . . . 10.0 115.44 -170.664 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.66 ' HD3' ' H72' ' B' ' 8' ' ' ' DT' . 24.8 mtpt -95.69 165.02 12.52 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.383 -0.826 . . . . 10.0 112.587 178.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.861 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -59.99 157.55 30.44 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 118.806 0.73 . . . . 10.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.686 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 92.4 Cg_endo -75.98 68.7 6.47 Favored 'Trans proline' 0 CA--C 1.514 -0.483 0 C-N-CA 122.68 2.253 . . . . 10.0 109.329 177.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 27' ' ' LEU . 12.4 mt -50.83 -35.18 31.01 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 124.494 2.092 . . . . 10.0 115.113 -177.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 p -89.84 -1.66 58.04 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 109.304 -3.589 . . . . 10.0 113.231 -176.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.452 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.06 58.58 39.19 Favored Pre-proline 0 N--CA 1.447 -0.622 0 N-CA-C 106.127 -1.805 . . . . 10.0 106.127 175.566 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.509 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 7.3 Cg_endo -47.87 -53.44 6.6 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.766 2.977 . . . . 10.0 115.579 -174.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.8 -46.7 64.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.319 0.58 . . . . 10.0 109.69 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.455 HD22 ' O ' ' A' ' 32' ' ' LEU . 1.4 tm? -71.14 -32.13 68.59 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.268 -1.012 . . . . 10.0 108.268 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.861 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 49.9 t -63.24 -37.58 87.8 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 107.232 -1.395 . . . . 10.0 107.232 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -25.65 66.27 Favored 'General case' 0 N--CA 1.428 -1.528 0 N-CA-C 113.52 0.933 . . . . 10.0 113.52 -176.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.461 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -75.24 -23.62 57.56 Favored 'General case' 0 CA--C 1.491 -1.292 0 C-N-CA 116.643 -2.023 . . . . 10.0 109.21 179.554 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.645 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.4 m0 -57.5 -30.3 65.01 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 105.856 -1.905 . . . . 10.0 105.856 178.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -54.79 -48.62 72.51 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 123.418 1.58 . . . . 10.0 110.005 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.45 -35.71 63.29 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 110.647 -2.979 . . . . 10.0 112.5 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.63 -15.18 38.02 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.616 -0.434 . . . . 10.0 110.985 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 36' ' ' TRP . 15.3 t -92.32 35.49 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 107.268 -1.382 . . . . 10.0 107.268 173.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.3 14.33 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 115.707 1.743 . . . . 10.0 115.707 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.421 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -97.14 148.06 23.43 Favored 'General case' 0 C--N 1.314 -0.947 0 O-C-N 121.47 -0.769 . . . . 10.0 111.313 -179.854 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -56.22 -42.6 77.53 Favored 'General case' 0 CA--C 1.517 -0.291 0 O-C-N 123.69 0.619 . . . . 10.0 109.986 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -79.69 63.87 4.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.022 -0.99 . . . . 10.0 109.681 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.513 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 12.6 t80 -62.78 117.87 6.92 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.205 -1.035 . . . . 10.0 108.205 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.569 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -59.38 -173.3 0.04 OUTLIER Pre-proline 0 C--O 1.218 -0.586 0 CA-C-N 114.835 -1.075 . . . . 10.0 110.936 179.161 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.789 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 86.1 Cg_exo -46.79 176.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.656 1.571 . . . . 10.0 112.07 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.568 HG23 " H2'" ' C' ' 21' ' ' ' DG' . 23.7 p -96.92 161.46 13.83 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 102.854 -3.017 . . . . 10.0 102.854 172.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.594 ' HE2' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -27.23 -16.44 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 O-C-N 127.773 3.171 . . . . 10.0 118.083 175.352 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.731 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 56.4 m-85 -75.49 -28.94 59.4 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 104.359 -2.46 . . . . 10.0 104.359 173.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.789 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 5.7 p -65.61 173.86 2.56 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 120.738 1.608 . . . . 10.0 108.624 172.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.62 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -112.21 164.45 13.19 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.108 -0.951 . . . . 10.0 110.502 -179.152 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.62 HD12 ' C ' ' A' ' 52' ' ' SER . 3.4 mp -132.65 159.25 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.942 1.297 . . . . 10.0 108.455 -176.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.565 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 15.2 p -105.53 156.31 18.35 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 119.735 1.152 . . . . 10.0 111.917 179.133 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.708 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.4 p -52.62 -40.79 63.11 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 118.684 2.846 . . . . 10.0 118.684 -173.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -15.31 1.05 Allowed 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 114.399 1.259 . . . . 10.0 114.399 -177.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.597 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 90.9 m-70 -86.23 -16.36 37.93 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 114.659 1.355 . . . . 10.0 114.659 -177.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.496 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -135.95 137.07 40.94 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-N 118.288 0.495 . . . . 10.0 110.921 -178.483 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 p -41.0 137.27 1.5 Allowed Pre-proline 0 N--CA 1.43 -1.456 0 O-C-N 124.83 1.331 . . . . 10.0 110.901 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.517 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.6 Cg_endo -50.54 -28.18 21.12 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 122.771 2.314 . . . . 10.0 111.765 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.533 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 5.3 m-20 -61.16 -49.84 75.59 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 113.84 -1.527 . . . . 10.0 107.191 174.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.695 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -87.9 6.57 34.97 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 114.003 1.112 . . . . 10.0 114.003 -173.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.525 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 0.6 OUTLIER -39.07 -58.32 1.15 Allowed 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.587 0.958 . . . . 10.0 113.587 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.473 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 11.7 pttp -176.35 -135.58 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.458 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 1.6 ptm180 -62.18 -13.69 30.01 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.468 0.544 . . . . 10.0 112.468 -178.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.411 ' OE1' ' HG3' ' A' ' 64' ' ' LYS . 41.2 mp0 -84.24 6.93 20.84 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 178.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.74 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 3.9 t -67.84 -116.98 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.115 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.457 ' N ' ' OG ' ' A' ' 67' ' ' SER . 1.3 m-20 -103.09 -69.84 0.78 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -89.56 -72.3 0.56 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.621 0.6 . . . . 10.0 112.621 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 14.4 tppt? -146.4 -20.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.401 0.519 . . . . 10.0 112.401 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.983 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -124.42 -159.56 0.88 Allowed 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 108.834 -0.802 . . . . 10.0 108.834 -179.771 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.983 HD12 HD13 ' A' ' 71' ' ' LEU . 1.2 mp -62.54 -172.0 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 122.422 1.106 . . . . 10.0 110.041 -176.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.645 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 5.3 mmmm -87.34 102.15 14.24 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 102.928 -2.99 . . . . 10.0 102.928 170.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.452 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -53.08 -3.87 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 115.519 1.674 . . . . 10.0 115.519 -178.186 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' A' ' 73' ' ' LYS . 1.3 m-20 -107.33 18.83 21.13 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 114.794 -1.094 . . . . 10.0 109.92 175.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.12 143.71 30.53 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 123.61 1.671 . . . . 10.0 109.6 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.462 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -147.61 148.28 30.36 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 110.839 -2.892 . . . . 10.0 107.665 -179.115 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.586 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 1.7 Cg_endo -43.95 118.28 1.53 Allowed 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 123.398 2.732 . . . . 10.0 107.486 177.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.17 -9.24 7.62 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 112.988 -1.914 . . . . 10.0 109.052 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.432 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.7 OUTLIER -96.2 7.61 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-N 115.282 -0.872 . . . . 10.0 110.817 -176.74 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.597 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.3 m-30 -39.91 -52.89 2.38 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 113.891 1.071 . . . . 10.0 113.891 -177.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -163.57 171.74 15.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.712 0.291 . . . . 10.0 110.779 -179.381 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -79.44 -58.74 3.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.603 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -157.04 -69.23 0.1 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.554 179.153 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.42 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.9 p -152.7 134.23 8.37 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.816 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 6.5 Cg_exo -68.45 174.42 8.32 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.796 2.331 . . . . 10.0 112.036 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.077 -0.963 . . . . 10.0 109.363 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.926 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 O4'-C1'-C2' 107.009 0.826 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.926 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.016 0 O4'-C1'-N19 108.688 1.11 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.85 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 O4'-C1'-N19 108.935 1.419 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.85 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 O4'-C1'-C2' 107.143 0.948 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.778 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O4'-C1'-N19 108.739 1.174 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.778 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-C2' 107.343 1.13 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.999 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-N19 109.174 1.717 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.999 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 C5'-C4'-C3' 112.268 -1.621 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.584 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.389 0 O4'-C1'-N19 109.712 2.39 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.627 ' H8 ' ' HA ' ' A' ' 1' ' ' MET . . . . . . . . 0 O5'--C5' 1.422 -1.136 0 O3'-P-O5' 99.785 -2.219 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.487 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O3'-P-O5' 101.49 -1.321 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.556 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 C2'-C3'-O3' 112.988 0.885 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.556 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 O4'-C1'-C2' 107.186 0.987 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.891 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 O4'-C1'-C2' 107.045 0.859 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.149 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 O4'-C1'-N19 109.709 2.386 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.149 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.45 2.329 2 N19-C1'-C2' 103.654 -6.591 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.696 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-N19 108.893 1.366 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.754 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O4'-C1'-N19 108.976 1.47 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.754 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 O4'-C1'-C2' 107.235 1.032 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.689 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 O4'-C1'-C2' 107.44 1.218 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.568 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 O4'-C1'-C2' 107.062 0.875 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.724 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.42 -1.235 0 O4'-C1'-N19 109.441 2.051 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.731 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 O4'-C1'-N19 109.189 1.736 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-N19 109.238 1.798 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . 0.525 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.02 0 O4'-C1'-N19 108.976 1.47 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.525 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 P-O5'-C5' 118.841 -1.287 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.605 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-C2' 107.092 0.902 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.605 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 O4'-C1'-N19 109.177 1.722 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.499 H2'' ' C8 ' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-C2' 107.094 0.903 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.499 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 O4'-C4'-C3' 104.615 -0.985 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.456 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 O4'-C1'-C2' 107.281 1.074 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.456 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.422 -1.118 0 O4'-C1'-C2' 106.964 0.786 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.532 ' HA ' ' OG ' ' A' ' 52' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.677 ' CG1' " H2'" ' B' ' 10' ' ' ' DG' . 0.6 OUTLIER -68.05 -31.36 51.51 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.707 0 CA-C-N 117.847 0.294 . . . . 10.0 111.118 -179.013 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.531 ' H ' ' HG2' ' A' ' 1' ' ' MET . 36.0 mt-30 -54.28 -56.59 16.93 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 107.581 -1.266 . . . . 10.0 107.581 177.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.573 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER 179.28 169.78 1.0 Allowed 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.324 -0.853 . . . . 10.0 110.077 177.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.6 m -78.39 163.32 25.75 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 106.722 -1.584 . . . . 10.0 106.722 -176.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.691 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 29.3 t -74.06 0.57 13.35 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 113.216 -1.811 . . . . 10.0 111.078 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.95 -147.47 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.865 0.84 . . . . 10.0 112.747 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.584 ' CE1' ' HD3' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -116.34 73.58 0.86 Allowed 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 121.187 -0.946 . . . . 10.0 109.937 -177.835 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.23 32.86 21.91 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.361 -0.836 . . . . 10.0 114.598 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.1 t -89.57 74.12 7.67 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.034 0.445 . . . . 10.0 112.103 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.573 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 22.7 mmtt -71.91 63.73 0.48 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.843 -1.169 . . . . 10.0 107.843 176.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -92.33 26.1 2.7 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 121.846 -0.534 . . . . 10.0 111.303 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -23.26 133.7 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.266 0 O-C-N 124.86 1.35 . . . . 10.0 111.569 -179.528 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -35.6 108.79 0.07 Allowed 'General case' 0 C--N 1.351 0.659 0 CA-C-O 121.738 0.78 . . . . 10.0 112.547 -176.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.457 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 13.7 t0 -133.29 106.76 7.73 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 105.986 -1.857 . . . . 10.0 105.986 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -62.77 -16.26 57.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.425 -1.262 . . . . 10.0 111.521 -178.881 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.452 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.8 OUTLIER -73.84 -23.84 59.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.005 -0.998 . . . . 10.0 108.633 179.539 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.491 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -102.97 150.74 38.09 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 114.688 -1.142 . . . . 10.0 108.005 179.369 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -91.1 75.21 0.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.535 0 N-CA-C 116.116 1.544 . . . . 10.0 116.116 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.491 HG13 ' HG3' ' A' ' 18' ' ' LYS . 2.4 m -144.12 146.17 20.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 O-C-N 121.351 -0.843 . . . . 10.0 111.589 177.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.97 168.03 9.4 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.497 -0.774 . . . . 10.0 108.979 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -117.1 102.31 9.2 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 117.772 2.508 . . . . 10.0 117.772 -176.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.562 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -108.19 163.14 13.43 Favored 'General case' 0 C--O 1.198 -1.649 0 N-CA-C 115.286 1.587 . . . . 10.0 115.286 -171.365 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -96.0 164.83 12.54 Favored 'General case' 0 C--N 1.311 -1.101 0 C-N-CA 119.415 -0.914 . . . . 10.0 111.173 177.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.922 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.08 158.88 12.12 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 118.981 0.81 . . . . 10.0 110.157 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.673 ' HB3' HD13 ' A' ' 72' ' ' LEU . 60.3 Cg_endo -79.08 68.04 8.4 Favored 'Trans proline' 0 N--CA 1.474 0.34 0 C-N-CA 122.856 2.371 . . . . 10.0 108.158 177.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.511 HD21 ' HG3' ' A' ' 49' ' ' LYS . 10.2 mt -49.29 -38.73 28.39 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 112.83 -1.987 . . . . 10.0 115.697 -176.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.5 p -86.73 -1.08 57.44 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 109.164 -3.653 . . . . 10.0 113.62 -175.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.525 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -128.04 59.29 39.08 Favored Pre-proline 0 N--CA 1.446 -0.627 0 N-CA-C 105.453 -2.054 . . . . 10.0 105.453 174.622 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -47.09 -55.68 3.7 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.736 2.957 . . . . 10.0 115.45 -173.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.79 -47.74 51.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.267 0.556 . . . . 10.0 110.088 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.496 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . 1.4 tm? -69.9 -33.96 72.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.155 -0.929 . . . . 10.0 108.57 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.922 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 10.7 t -61.91 -38.43 88.37 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 106.894 -1.521 . . . . 10.0 106.894 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -69.18 -24.09 64.01 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 113.709 1.003 . . . . 10.0 113.709 -175.481 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -75.3 -22.04 58.01 Favored 'General case' 0 CA--C 1.484 -1.583 0 C-N-CA 116.054 -2.258 . . . . 10.0 108.864 179.162 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.728 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.5 m0 -56.41 -29.09 61.12 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 106.117 -1.808 . . . . 10.0 106.117 177.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -53.62 -49.4 67.92 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 123.772 1.749 . . . . 10.0 110.237 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.17 -33.74 63.24 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 110.411 -3.086 . . . . 10.0 112.649 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.62 -14.92 38.76 Favored 'General case' 0 C--N 1.309 -1.191 0 C-N-CA 119.602 -0.839 . . . . 10.0 109.707 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 36' ' ' TRP . 18.0 t -90.67 34.72 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 1.017 0 CA-C-O 122.691 1.234 . . . . 10.0 108.01 175.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.03 13.35 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 114.366 -1.288 . . . . 10.0 114.194 -177.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.584 ' HD3' ' CE1' ' A' ' 8' ' ' TYR . 12.4 tpt180 -76.89 142.27 40.21 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -52.97 -57.77 9.22 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.977 0.418 . . . . 10.0 110.175 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.71 69.21 9.44 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.665 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -49.89 121.18 5.02 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 114.871 -1.059 . . . . 10.0 109.433 178.02 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.691 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -61.31 -171.27 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.175 -0.92 . . . . 10.0 110.582 178.471 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.745 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 79.6 Cg_exo -44.95 176.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.352 2.035 . . . . 10.0 113.036 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.579 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 43.2 p -83.69 -153.63 0.14 Allowed 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 103.238 -2.875 . . . . 10.0 103.238 172.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.633 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -89.97 -3.45 58.0 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 112.455 -2.157 . . . . 10.0 114.224 -173.863 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.727 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 67.7 m-85 -77.58 -31.1 52.88 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 105.383 -2.08 . . . . 10.0 105.383 174.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.745 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 14.2 p -63.44 172.35 2.06 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 117.926 -1.51 . . . . 10.0 109.032 174.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.663 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -109.52 159.1 17.35 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.221 -1.354 . . . . 10.0 109.913 -178.702 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.663 HD12 ' C ' ' A' ' 52' ' ' SER . 2.1 mp -128.63 159.2 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 108.063 -1.088 . . . . 10.0 108.063 -176.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.4 p -105.74 157.72 17.24 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-N 119.345 0.975 . . . . 10.0 111.25 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.533 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 1.3 p -54.24 -39.33 66.69 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 118.834 2.902 . . . . 10.0 118.834 -173.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -14.87 1.65 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 114.384 1.253 . . . . 10.0 114.384 -176.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.435 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 87.4 m-70 -84.48 -16.68 41.63 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 114.651 1.352 . . . . 10.0 114.651 -177.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.455 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -127.41 174.65 8.83 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 -178.706 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.43 140.78 52.31 Favored Pre-proline 0 N--CA 1.428 -1.545 0 N-CA-C 108.972 -0.751 . . . . 10.0 108.972 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.697 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 8.2 Cg_endo -49.96 -32.04 29.26 Favored 'Trans proline' 0 C--N 1.329 -0.482 0 C-N-CA 123.328 2.686 . . . . 10.0 112.291 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.539 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 4.4 m-20 -57.91 -47.39 82.97 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.12 -1.4 . . . . 10.0 109.207 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.534 ' CB ' ' HG2' ' A' ' 73' ' ' LYS . 1.4 t -92.76 4.54 53.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 113.79 -1.55 . . . . 10.0 113.872 -174.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.697 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -39.05 -52.8 1.83 Allowed 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 114.301 1.223 . . . . 10.0 114.301 -179.739 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -175.3 -140.61 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.361 0.874 . . . . 10.0 113.361 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.43 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 1.6 ptm180 -59.86 -8.54 2.24 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 -178.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' OE1' ' HG3' ' A' ' 65' ' ' ARG . 1.1 mp0 -90.63 5.52 47.62 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.18 -0.304 . . . . 10.0 110.18 178.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.832 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 5.5 t -68.49 -115.11 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.854 0 CA-C-O 120.813 0.34 . . . . 10.0 110.809 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.443 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -98.93 -70.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.943 -0.473 . . . . 10.0 111.744 -178.793 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -88.64 -74.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.366 -0.534 . . . . 10.0 112.261 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.423 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 12.1 tppt? -148.45 -1.24 0.54 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.45 0.643 . . . . 10.0 111.004 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.832 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -140.55 -161.58 1.22 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 118.209 -0.9 . . . . 10.0 109.217 -178.675 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.774 HD12 HD13 ' A' ' 71' ' ' LEU . 4.0 mp -63.13 -175.7 0.11 Allowed 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 122.57 1.176 . . . . 10.0 110.933 -176.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.746 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -88.36 106.2 18.09 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 104.391 -2.448 . . . . 10.0 104.391 171.119 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.525 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -50.82 -4.14 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 116.09 1.885 . . . . 10.0 116.09 -177.724 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.402 ' H ' ' C ' ' A' ' 73' ' ' LYS . 1.4 m120 -106.74 14.06 27.26 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.473 -0.785 . . . . 10.0 110.974 175.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.48 141.71 39.42 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 123.722 1.725 . . . . 10.0 110.137 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.512 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -147.45 147.91 29.61 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 110.566 -3.015 . . . . 10.0 108.379 -178.901 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.512 ' HD2' HG23 ' A' ' 77' ' ' VAL . 2.1 Cg_endo -46.27 120.72 3.92 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 123.883 3.055 . . . . 10.0 108.875 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.0 t -125.26 -10.44 6.99 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 113.454 -1.703 . . . . 10.0 110.133 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.415 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.9 OUTLIER -90.0 6.16 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 115.591 -0.731 . . . . 10.0 111.321 -176.23 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.586 ' HE2' HG22 ' A' ' 40' ' ' VAL . 2.9 m-30 -41.06 -54.15 2.88 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.099 1.148 . . . . 10.0 114.099 -177.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.97 162.3 15.55 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 -179.092 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -77.04 -54.02 7.07 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.355 -0.609 . . . . 10.0 109.355 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.5 HD12 HG12 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -157.12 -65.51 0.1 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.533 -0.758 . . . . 10.0 111.379 -179.638 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.5 HG12 HD12 ' A' ' 84' ' ' LEU . 6.5 p -166.08 138.37 3.19 Favored Pre-proline 0 N--CA 1.451 -0.39 0 CA-C-O 120.81 0.338 . . . . 10.0 110.802 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 7.9 Cg_exo -70.6 159.34 53.12 Favored 'Trans proline' 0 CA--C 1.527 0.153 0 C-N-CA 123.083 2.522 . . . . 10.0 111.389 178.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.452 ' H ' ' HG3' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.868 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.04 0 O4'-C1'-N19 108.612 1.015 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.868 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O4'-C1'-N19 108.966 1.458 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.939 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.047 0 O4'-C1'-N19 109.309 1.886 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.939 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 N19-C1'-C2' 115.995 1.122 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.722 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O4'-C1'-N19 108.36 0.7 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.722 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.071 0 O4'-C1'-N19 108.698 1.123 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.948 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.676 0 O4'-C1'-N19 109.224 1.781 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.948 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C5'-C4'-C3' 112.891 -1.206 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.515 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.392 0 O4'-C1'-N19 109.546 2.183 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.677 " H2'" ' CG1' ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.42 -1.26 0 O4'-C1'-N19 109.524 2.155 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.456 ' OP2' HG21 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 O3'-P-O5' 100.435 -1.877 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.504 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 P-O5'-C5' 118.956 -1.215 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.618 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C4'-C3'-C2' 102.437 -0.763 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.969 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O4'-C1'-C2' 107.054 0.868 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.081 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 1.023 0 O4'-C1'-N19 109.487 2.108 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.081 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.45 2.328 2 N19-C1'-C2' 104.143 -6.285 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.708 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C1'-N19 108.764 1.205 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.893 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-N19 108.571 0.964 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.893 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C1'-C2' 107.26 1.054 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.782 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C1'-C2' 107.599 1.362 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.573 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 O4'-C1'-C2' 107.26 1.055 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.727 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.418 -1.394 0 O4'-C1'-N19 109.361 1.951 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.68 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.43 -0.651 0 O3'-P-O5' 101.301 -1.42 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O4'-C1'-N19 109.036 1.545 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . 0.503 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.42 -1.228 0 O4'-C1'-N19 109.232 1.79 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.503 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O3'-P-O5' 101.109 -1.522 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.702 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 O4'-C4'-C3' 104.617 -0.983 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.702 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-C2' 107.084 0.895 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.538 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 O4'-C1'-N19 108.96 1.451 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.465 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-N19 108.731 1.164 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.548 H2'' ' C6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-C2' 107.09 0.9 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.548 ' C6 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C1'-C2' 107.188 0.989 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.852 ' SD ' ' HA ' ' A' ' 51' ' ' SER . 22.1 mmt . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 111.591 0.219 . . . . 10.0 111.591 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.489 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 7.1 p -70.81 -7.83 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.9 0.381 . . . . 10.0 111.333 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -49.33 -50.16 40.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.749 -0.659 . . . . 10.0 109.557 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.423 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -179.17 167.4 1.55 Allowed 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 178.766 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.63 166.27 23.22 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 107.454 -1.313 . . . . 10.0 107.454 -175.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.523 ' HA ' ' HB3' ' A' ' 46' ' ' LYS . 28.2 t -70.52 -1.11 9.94 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 112.106 -2.315 . . . . 10.0 111.255 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.76 -147.93 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 122.038 0.923 . . . . 10.0 110.905 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 11.7 p90 -147.25 74.66 1.34 Allowed 'General case' 0 N--CA 1.442 -0.859 0 O-C-N 121.142 -0.974 . . . . 10.0 109.389 178.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.06 -0.62 9.05 Favored Glycine 0 N--CA 1.439 -1.155 0 C-N-CA 120.06 -1.067 . . . . 10.0 113.838 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 12' ' ' ASN . 41.8 t -92.43 75.14 5.21 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 114.047 1.129 . . . . 10.0 114.047 -178.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 69.4 mttt -74.47 68.57 1.59 Allowed 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 106.688 -1.597 . . . . 10.0 106.688 175.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.426 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 1.5 m-20 -90.23 30.15 1.15 Allowed 'General case' 0 C--N 1.321 -0.646 0 O-C-N 121.524 -0.735 . . . . 10.0 112.645 -178.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.489 ' HD3' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -24.67 139.97 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 O-C-N 124.902 1.376 . . . . 10.0 112.698 -179.691 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.49 111.56 0.35 Allowed 'General case' 0 C--N 1.345 0.408 0 CA-C-O 122.243 1.02 . . . . 10.0 110.586 -177.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.419 ' CB ' ' HD2' ' A' ' 18' ' ' LYS . 1.2 t0 -139.57 108.92 6.13 Favored 'General case' 0 N--CA 1.434 -1.225 0 N-CA-C 105.168 -2.16 . . . . 10.0 105.168 177.172 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -58.08 -20.77 42.24 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.13 -0.941 . . . . 10.0 111.167 179.784 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.439 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 3.2 m-20 -65.84 -26.34 67.62 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.519 -1.218 . . . . 10.0 109.753 178.133 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HD2' ' CB ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -104.95 147.04 33.82 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 107.883 -1.155 . . . . 10.0 107.883 178.699 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -88.15 75.2 1.99 Allowed 'Trans proline' 0 N--CA 1.46 -0.495 0 N-CA-C 115.123 1.163 . . . . 10.0 115.123 -177.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.5 142.76 26.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 119.913 -0.715 . . . . 10.0 112.045 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -104.95 166.87 10.09 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 114.901 -1.045 . . . . 10.0 108.339 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -118.4 103.04 9.4 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 116.764 2.135 . . . . 10.0 116.764 -177.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.742 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.51 162.85 13.57 Favored 'General case' 0 C--O 1.193 -1.873 0 N-CA-C 115.078 1.51 . . . . 10.0 115.078 -170.652 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -96.17 165.52 12.19 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 119.389 -0.924 . . . . 10.0 112.007 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.871 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -60.94 157.89 37.68 Favored Pre-proline 0 N--CA 1.47 0.574 0 CA-C-N 119.438 1.017 . . . . 10.0 110.967 178.806 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.612 ' HB3' HD13 ' A' ' 72' ' ' LEU . 53.8 Cg_endo -78.77 67.49 8.45 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.127 2.551 . . . . 10.0 109.037 178.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.628 HD21 ' HG3' ' A' ' 49' ' ' LYS . 14.9 mt -52.13 -34.51 44.82 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 124.335 2.017 . . . . 10.0 115.585 -176.221 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 p -84.98 -1.01 56.26 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 109.472 -3.513 . . . . 10.0 113.193 -175.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.572 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 5.7 ttm180 -134.66 64.37 63.1 Favored Pre-proline 0 N--CA 1.44 -0.949 0 N-CA-C 105.997 -1.853 . . . . 10.0 105.997 174.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.531 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.6 Cg_endo -48.84 -51.84 9.73 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 123.213 2.609 . . . . 10.0 114.472 -176.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -50.85 -47.62 60.27 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 -179.606 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.572 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 2.0 tm? -70.24 -33.72 71.98 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.479 -0.934 . . . . 10.0 108.479 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.871 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 50.3 t -61.71 -38.12 86.69 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 107.91 -1.145 . . . . 10.0 107.91 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -66.47 -27.51 67.86 Favored 'General case' 0 N--CA 1.422 -1.844 0 CA-C-N 114.591 -1.186 . . . . 10.0 113.484 -176.095 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' HG2' ' H ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER -74.84 -23.21 58.41 Favored 'General case' 0 CA--C 1.493 -1.222 0 C-N-CA 115.767 -2.373 . . . . 10.0 109.109 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.707 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.9 m0 -56.22 -31.94 63.96 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 105.663 -1.977 . . . . 10.0 105.663 177.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -54.47 -48.25 72.0 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 123.675 1.703 . . . . 10.0 110.635 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.09 -36.05 62.75 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 110.728 -2.942 . . . . 10.0 112.151 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.98 -14.49 36.46 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 119.792 -0.763 . . . . 10.0 110.861 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 36' ' ' TRP . 19.4 t -91.34 30.89 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 N-CA-C 107.914 -1.143 . . . . 10.0 107.914 175.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.53 13.88 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.485 1.291 . . . . 10.0 114.485 -178.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 14.1 tpt180 -81.31 151.23 28.13 Favored 'General case' 0 C--N 1.31 -1.141 0 O-C-N 121.985 -0.447 . . . . 10.0 111.112 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.543 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 15.3 ttpp -75.89 158.9 31.51 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 105.707 -1.96 . . . . 10.0 105.707 174.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.478 ' OD1' ' HG2' ' A' ' 43' ' ' LYS . 31.6 m-20 65.27 30.0 11.42 Favored 'General case' 0 N--CA 1.435 -1.222 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.638 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -29.09 124.96 0.12 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.856 1.263 . . . . 10.0 111.303 178.606 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.638 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 1.1 mttp -58.39 -173.14 0.04 OUTLIER Pre-proline 0 C--O 1.216 -0.669 0 C-N-CA 124.465 1.106 . . . . 10.0 111.063 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.783 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 87.8 Cg_exo -45.32 175.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 C-N-CA 122.495 2.13 . . . . 10.0 112.858 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 50' ' ' TYR . 13.9 p -101.76 159.74 15.07 Favored 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 102.772 -3.047 . . . . 10.0 102.772 172.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.628 ' HG3' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -25.86 -17.85 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 O-C-N 128.046 3.341 . . . . 10.0 118.032 175.627 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.713 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 81.0 m-85 -74.84 -27.31 60.22 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 104.619 -2.363 . . . . 10.0 104.619 173.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.852 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 4.1 p -67.4 173.06 4.28 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 120.59 1.541 . . . . 10.0 109.268 172.621 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.529 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -110.3 161.0 16.05 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 114.985 -1.007 . . . . 10.0 109.266 -179.756 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.529 HD12 ' C ' ' A' ' 52' ' ' SER . 3.3 mp -129.34 157.15 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 124.646 1.178 . . . . 10.0 108.432 -175.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.523 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 21.2 p -106.46 151.29 25.14 Favored 'General case' 0 CA--C 1.554 1.101 0 CA-C-N 120.046 1.294 . . . . 10.0 112.938 179.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.742 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 49.9 p -39.17 -49.7 1.86 Allowed 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 118.734 2.864 . . . . 10.0 118.734 -174.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.09 -16.37 0.29 Allowed 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 114.899 1.444 . . . . 10.0 114.899 -175.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.562 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 84.2 m-70 -85.82 -17.02 36.85 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 114.061 1.134 . . . . 10.0 114.061 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.575 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -133.82 132.86 40.92 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 118.727 0.694 . . . . 10.0 111.689 -179.397 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p -40.38 137.59 1.28 Allowed Pre-proline 0 N--CA 1.434 -1.272 0 O-C-N 124.865 1.353 . . . . 10.0 110.621 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.626 ' O ' ' HB2' ' A' ' 63' ' ' PHE . 8.9 Cg_endo -49.51 -27.94 15.29 Favored 'Trans proline' 0 C--N 1.323 -0.795 0 C-N-CA 123.067 2.512 . . . . 10.0 111.831 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.47 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -61.64 -51.22 69.36 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 113.49 -1.686 . . . . 10.0 107.588 174.8 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.621 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -88.03 6.54 35.59 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 113.612 0.967 . . . . 10.0 113.612 -174.296 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.626 ' HB2' ' O ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -37.69 -61.39 0.63 Allowed 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 113.958 -1.474 . . . . 10.0 114.34 179.637 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.564 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -175.97 -131.72 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 117.823 0.283 . . . . 10.0 111.581 -178.442 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.593 ' HA ' ' C ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -61.7 -20.9 63.98 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.15 0.5 . . . . 10.0 110.886 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -81.96 5.91 17.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.631 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.784 ' OG ' ' HD2' ' A' ' 73' ' ' LYS . 1.4 t -72.35 -95.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.016 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.424 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.4 OUTLIER -100.98 -71.14 0.72 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.213 0.53 . . . . 10.0 110.023 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -111.14 -64.64 1.25 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.559 -0.746 . . . . 10.0 111.771 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.593 ' C ' ' HA ' ' A' ' 65' ' ' ARG . 13.0 ttmm -146.21 1.99 0.86 Allowed 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 111.801 0.297 . . . . 10.0 111.801 -178.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.911 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -146.4 -170.84 3.6 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.766 -0.635 . . . . 10.0 110.053 179.527 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.911 HD12 HD13 ' A' ' 71' ' ' LEU . 2.1 mp -61.74 -177.35 0.11 Allowed 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 122.56 1.171 . . . . 10.0 110.815 -174.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.784 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -88.84 108.68 19.65 Favored 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 104.558 -2.386 . . . . 10.0 104.558 172.177 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -51.49 -5.16 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 115.329 1.604 . . . . 10.0 115.329 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.409 ' H ' ' C ' ' A' ' 73' ' ' LYS . 1.8 m-20 -110.43 18.05 20.19 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.213 -0.903 . . . . 10.0 110.671 176.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.51 145.34 32.49 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 123.894 1.806 . . . . 10.0 110.718 -177.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.47 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -150.84 148.99 24.37 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 110.306 -3.134 . . . . 10.0 107.757 -178.026 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.562 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 2.2 Cg_endo -43.93 120.39 2.38 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 123.51 2.807 . . . . 10.0 108.444 178.027 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 t -123.0 -10.65 8.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 113.418 -1.719 . . . . 10.0 109.363 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.49 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.8 OUTLIER -91.49 7.07 4.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 115.068 -0.969 . . . . 10.0 112.508 -176.096 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.497 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 3.9 m-30 -40.49 -53.72 2.61 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.311 0.856 . . . . 10.0 113.311 -177.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.581 ' HB2' ' CE1' ' A' ' 8' ' ' TYR . 7.5 mt -174.78 164.16 3.5 Favored 'General case' 0 CA--C 1.517 -0.3 0 O-C-N 123.297 0.373 . . . . 10.0 110.128 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -58.21 -52.41 65.68 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.575 0.547 . . . . 10.0 109.842 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -157.47 -67.53 0.1 Allowed 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.524 178.62 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -143.39 148.6 44.67 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 110.171 -0.307 . . . . 10.0 110.171 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.417 ' HG3' ' O ' ' A' ' 8' ' ' TYR . 14.4 Cg_exo -61.33 141.22 92.01 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.458 2.105 . . . . 10.0 113.697 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 . . . . . 0 C--O 1.249 1.037 0 CA-C-N 114.477 -1.238 . . . . 10.0 112.043 178.907 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.812 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C4'-C3' 104.597 -1.003 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.812 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-N19 108.879 1.348 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.792 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-N19 108.892 1.365 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.792 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-N19 108.773 1.216 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.768 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-N19 108.683 1.104 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.768 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-N19 108.602 1.002 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.882 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-N19 109.288 1.859 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.882 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 N19-C1'-C2' 116.528 1.455 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.509 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.242 0 O4'-C1'-N19 108.976 1.47 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.515 ' N7 ' ' HB3' ' A' ' 1' ' ' MET . . . . . . . . 0 O5'--C5' 1.418 -1.361 0 P-O5'-C5' 117.702 -1.999 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.735 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O3'-P-O5' 100.942 -1.609 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.735 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.026 0 C2'-C3'-O3' 113.39 1.033 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.509 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 O4'-C1'-C2' 106.959 0.781 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.868 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C1'-C2' 107.069 0.881 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.145 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.442 0.876 0 O4'-C1'-N19 109.61 2.263 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.145 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.451 2.362 2 N19-C1'-C2' 103.614 -6.616 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.636 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.43 0.735 0 O4'-C1'-N19 109.062 1.578 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.869 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.556 0 O4'-C1'-C2' 107.121 0.929 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.869 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-C2' 107.073 0.884 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.812 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O4'-C1'-C2' 107.454 1.231 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.526 H2'' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.126 0 O4'-C1'-C2' 107.213 1.012 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.713 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.417 -1.447 0 O4'-C1'-N19 109.367 1.959 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.642 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.43 -0.624 0 O3'-P-O5' 100.565 -1.808 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.049 0 O4'-C1'-N19 108.928 1.409 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . 0.494 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.42 -1.252 0 O4'-C1'-N19 108.845 1.306 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.494 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-N19 109.027 1.534 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.602 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-C2' 107.185 0.986 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.602 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 O4'-C1'-N19 108.722 1.152 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.506 H2'' ' C8 ' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 O4'-C1'-N19 108.654 1.067 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.506 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-N19 108.686 1.108 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.508 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 N19-C1'-C2' 116.073 1.171 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.508 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 O4'-C1'-C2' 107.107 0.916 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.418 ' HA ' ' OG ' ' A' ' 52' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.824 HG13 " H2'" ' B' ' 10' ' ' ' DG' . 17.8 m -69.9 -32.9 53.4 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 O-C-N 123.383 0.427 . . . . 10.0 110.469 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -56.71 -62.45 1.73 Allowed 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 123.496 0.498 . . . . 10.0 110.443 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.596 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER 178.87 170.27 0.87 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 120.875 0.369 . . . . 10.0 111.3 178.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.34 167.73 16.27 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 107.613 -1.254 . . . . 10.0 107.613 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.671 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 8.2 t -74.46 2.32 9.81 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 112.859 -1.973 . . . . 10.0 111.832 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.79 -152.29 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 122.181 0.991 . . . . 10.0 112.956 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.458 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 1.4 t80 -109.02 67.27 0.65 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 -178.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.41 35.17 12.38 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 120.738 -0.744 . . . . 10.0 113.528 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.445 ' SG ' ' HB2' ' A' ' 12' ' ' ASN . 8.3 t -85.99 76.45 9.82 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 117.614 0.707 . . . . 10.0 112.563 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.596 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 29.4 mmtp -73.29 62.83 0.71 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.855 -0.794 . . . . 10.0 108.855 176.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.445 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER -89.65 30.3 1.05 Allowed 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.72 -0.613 . . . . 10.0 111.64 -179.125 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -23.97 135.72 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 O-C-N 124.902 1.376 . . . . 10.0 112.145 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.52 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -44.68 111.72 0.34 Allowed 'General case' 0 C--N 1.35 0.628 0 CA-C-O 122.152 0.977 . . . . 10.0 111.126 -177.877 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.585 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 0.9 OUTLIER -140.58 111.28 6.89 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 105.474 -2.047 . . . . 10.0 105.474 178.908 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -61.03 -21.2 63.38 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.973 -1.012 . . . . 10.0 112.013 -178.36 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.585 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 1.5 m-20 -68.35 -22.09 64.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.626 -1.17 . . . . 10.0 109.692 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.55 138.76 19.68 Favored Pre-proline 0 C--N 1.315 -0.925 0 N-CA-C 107.923 -1.14 . . . . 10.0 107.923 177.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -84.92 76.36 3.3 Favored 'Trans proline' 0 C--O 1.238 0.484 0 C-N-CA 121.58 1.52 . . . . 10.0 116.015 -176.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.407 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 3.4 m -144.41 143.1 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.581 0.705 . . . . 10.0 111.797 178.191 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.59 168.68 9.12 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 114.663 -1.153 . . . . 10.0 107.918 177.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.52 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -118.66 102.56 8.95 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 117.331 2.345 . . . . 10.0 117.331 -177.266 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.626 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -106.13 159.63 15.94 Favored 'General case' 0 C--O 1.195 -1.792 0 N-CA-C 114.827 1.417 . . . . 10.0 114.827 -170.876 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.436 ' HD3' ' C7 ' ' B' ' 8' ' ' ' DT' . 34.4 mtpt -95.03 164.46 12.88 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 114.985 -1.007 . . . . 10.0 111.418 178.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.823 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -57.8 156.47 18.32 Favored Pre-proline 0 C--N 1.318 -0.791 0 CA-C-N 118.067 0.394 . . . . 10.0 110.915 -179.748 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.554 ' HB3' HD13 ' A' ' 72' ' ' LEU . 51.9 Cg_endo -78.48 67.58 8.27 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.818 2.345 . . . . 10.0 108.519 178.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 27' ' ' LEU . 18.2 mt -49.42 -38.78 30.34 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 112.486 -2.143 . . . . 10.0 115.756 -177.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 p -88.09 0.64 55.74 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 109.884 -3.325 . . . . 10.0 112.587 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.432 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -127.5 56.51 19.85 Favored Pre-proline 0 N--CA 1.439 -0.997 0 N-CA-C 105.858 -1.904 . . . . 10.0 105.858 175.067 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.579 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 9.2 Cg_endo -48.36 -53.58 6.57 Favored 'Trans proline' 0 C--O 1.219 -0.454 0 C-N-CA 123.938 3.092 . . . . 10.0 115.362 -174.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -52.85 -45.81 67.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.499 0.666 . . . . 10.0 109.291 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.465 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 2.2 tm? -70.54 -31.92 69.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.406 -1.27 . . . . 10.0 108.97 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.823 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 44.0 t -63.95 -36.83 85.24 Favored 'General case' 0 CA--C 1.502 -0.893 0 N-CA-C 107.293 -1.373 . . . . 10.0 107.293 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -66.56 -27.41 67.71 Favored 'General case' 0 N--CA 1.421 -1.888 0 CA-C-N 115.018 -0.992 . . . . 10.0 113.515 -176.44 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.467 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -74.81 -22.27 58.82 Favored 'General case' 0 CA--C 1.497 -1.074 0 C-N-CA 116.044 -2.263 . . . . 10.0 108.785 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.701 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.8 m0 -58.82 -29.87 67.21 Favored 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 106.118 -1.808 . . . . 10.0 106.118 178.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -55.39 -48.43 74.33 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 123.544 1.64 . . . . 10.0 109.338 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -55.09 -34.44 63.64 Favored 'General case' 0 C--N 1.361 1.108 0 CA-C-N 110.593 -3.003 . . . . 10.0 112.001 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.439 ' O ' ' HD2' ' A' ' 81' ' ' PHE . . . -87.23 -15.21 38.87 Favored 'General case' 0 C--N 1.309 -1.179 0 C-N-CA 120.582 -0.447 . . . . 10.0 110.266 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 36' ' ' TRP . 18.5 t -91.51 44.06 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 107.741 -1.207 . . . . 10.0 107.741 174.034 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.31 12.12 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.292 1.219 . . . . 10.0 114.292 -178.116 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.479 ' CZ ' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -76.58 137.43 39.53 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 179.323 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.479 ' H ' ' CZ ' ' A' ' 42' ' ' ARG . 36.4 tttt -54.69 -52.6 61.89 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 108.863 -0.792 . . . . 10.0 108.863 178.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.471 ' OD1' ' HG3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -82.49 66.78 8.25 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.288 -0.869 . . . . 10.0 108.839 178.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.641 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 5.6 t80 -47.17 126.12 8.78 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.247 -0.888 . . . . 10.0 109.425 178.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.671 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.3 OUTLIER -61.92 -172.23 0.05 OUTLIER Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 114.836 -1.074 . . . . 10.0 110.834 178.828 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.783 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 80.8 Cg_exo -46.39 176.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 122.117 1.878 . . . . 10.0 111.83 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.613 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 43.4 p -81.74 -153.02 0.1 Allowed 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 103.382 -2.822 . . . . 10.0 103.382 173.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.497 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.46 -3.26 57.78 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 112.061 -2.336 . . . . 10.0 114.219 -174.077 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.68 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 75.5 m-85 -77.88 -31.77 51.5 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 105.391 -2.077 . . . . 10.0 105.391 173.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.783 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 9.4 p -62.43 172.32 1.59 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 120.606 1.548 . . . . 10.0 109.55 175.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.646 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -110.31 160.81 16.22 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.076 -1.42 . . . . 10.0 109.764 -178.577 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.646 HD12 ' C ' ' A' ' 52' ' ' SER . 2.9 mp -130.36 157.11 42.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 114.159 -1.382 . . . . 10.0 107.578 -175.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 15.9 p -107.65 155.17 20.45 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 120.185 1.357 . . . . 10.0 111.969 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.507 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 2.2 p -48.46 -39.16 21.91 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 119.024 2.972 . . . . 10.0 119.024 -172.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -16.05 2.37 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 114.427 1.269 . . . . 10.0 114.427 -176.087 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.559 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 88.3 m-70 -85.67 -16.85 37.77 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 114.535 1.309 . . . . 10.0 114.535 -177.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.406 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -138.73 137.16 36.49 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-N 118.361 0.528 . . . . 10.0 111.353 -178.501 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.8 p -42.58 139.12 2.04 Favored Pre-proline 0 N--CA 1.434 -1.272 0 O-C-N 124.689 1.243 . . . . 10.0 111.72 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.669 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.5 Cg_endo -50.31 -28.61 21.06 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 122.733 2.288 . . . . 10.0 112.136 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.491 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 0.8 OUTLIER -60.48 -50.76 72.27 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 113.51 -1.677 . . . . 10.0 107.436 174.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.598 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -90.76 7.21 40.8 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 113.865 1.061 . . . . 10.0 113.865 -174.531 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.669 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -40.72 -59.49 1.38 Allowed 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 113.97 1.1 . . . . 10.0 113.97 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.608 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 22.9 pttt -175.83 -136.54 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -59.59 -13.72 10.53 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.333 0.653 . . . . 10.0 112.55 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -85.37 5.74 29.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.785 0.326 . . . . 10.0 110.619 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.823 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 9.0 t -68.01 -114.05 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.938 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.4 ' N ' ' OG ' ' A' ' 67' ' ' SER . 1.1 m120 -102.81 -75.08 0.62 Allowed 'General case' 0 C--N 1.321 -0.653 0 O-C-N 122.027 -0.421 . . . . 10.0 112.102 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -82.83 -74.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.794 -0.362 . . . . 10.0 111.774 -177.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -149.9 -2.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.917 0.389 . . . . 10.0 111.932 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.823 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -139.44 -163.82 1.56 Allowed 'General case' 0 C--O 1.213 -0.856 0 CA-C-O 118.277 -0.868 . . . . 10.0 109.297 -179.111 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.67 ' H ' HD12 ' A' ' 72' ' ' LEU . 3.4 mp -62.73 -173.47 0.05 Allowed 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 122.396 1.093 . . . . 10.0 109.936 -175.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.589 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -87.79 101.98 14.22 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 104.482 -2.414 . . . . 10.0 104.482 170.721 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.465 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -49.72 -4.27 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 116.261 1.949 . . . . 10.0 116.261 -177.119 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -106.82 14.46 26.66 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.212 175.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.414 ' HB3' ' OG ' ' A' ' 62' ' ' SER . . . -140.73 146.46 37.77 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 123.595 1.664 . . . . 10.0 110.954 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.467 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -147.16 149.84 36.39 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 111.076 -2.783 . . . . 10.0 109.312 -177.605 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.562 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 2.1 Cg_endo -45.9 122.78 5.46 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 123.148 2.565 . . . . 10.0 107.437 176.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.01 -10.55 7.14 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 113.961 -1.472 . . . . 10.0 109.757 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.446 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -93.29 6.56 6.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 115.593 -0.731 . . . . 10.0 111.178 -175.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.535 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.7 m-30 -39.06 -45.12 1.21 Allowed 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.938 1.088 . . . . 10.0 113.938 -177.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.458 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -174.25 173.12 3.12 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.964 -0.384 . . . . 10.0 109.964 -179.554 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -82.52 -68.57 0.69 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.028 0.442 . . . . 10.0 110.445 179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -145.95 -67.38 0.29 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.844 -0.616 . . . . 10.0 109.741 -179.423 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.7 p -161.89 129.64 2.75 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.076 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 5.7 Cg_exo -71.69 161.52 44.94 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.502 2.135 . . . . 10.0 111.543 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.455 ' HD3' ' O ' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.805 0 CA-C-O 118.685 -0.674 . . . . 10.0 109.816 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.812 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.648 0 O4'-C1'-C2' 107.018 0.835 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.812 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-N19 109.264 1.83 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.84 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.983 0 O4'-C1'-N19 109.069 1.587 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.84 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-N19 108.876 1.345 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.748 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 O4'-C1'-C2' 107.084 0.895 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.762 " H1'" ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 O4'-C1'-N19 108.827 1.284 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.849 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 O4'-C1'-N19 109.397 1.996 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.849 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 C5'-C4'-C3' 112.536 -1.443 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.525 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.417 -1.452 0 O4'-C1'-N19 109.452 2.065 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.824 " H2'" HG13 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.42 -1.242 0 O3'-P-O5' 100.428 -1.88 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.539 ' OP2' HG21 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O3'-P-O5' 100.984 -1.587 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.612 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.422 -1.096 0 C2'-C3'-O3' 114.219 1.341 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.612 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 P-O5'-C5' 119.429 -0.919 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.901 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C1'-C2' 107.12 0.927 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.136 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.02 0 O4'-C1'-N19 109.812 2.514 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.136 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.451 2.376 2 N19-C1'-C2' 103.38 -6.763 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.72 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C1'-N19 108.998 1.498 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.805 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 O4'-C4'-C3' 104.574 -1.026 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.921 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O3'-P-O5' 102.396 -0.844 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.921 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.043 0 N19-C1'-C2' 116.184 1.24 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.474 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O4'-C1'-C2' 107.141 0.947 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.672 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.42 -1.26 0 O4'-C1'-N19 109.644 2.305 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.68 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O3'-P-O5' 100.707 -1.733 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-N19 109.231 1.789 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . 0.491 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.024 0 O4'-C1'-N19 109.113 1.641 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.491 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O3'-P-O5' 101.396 -1.371 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.701 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O4'-C1'-C2' 107.08 0.891 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.701 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 O4'-C1'-N19 108.751 1.188 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.544 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C1'-N19 108.704 1.13 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.465 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 O4'-C1'-N19 108.56 0.95 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.461 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 O4'-C1'-C2' 107.256 1.051 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.461 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O4'-C1'-C2' 107.162 0.965 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.479 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 109.722 -0.474 . . . . 10.0 109.722 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.784 HG21 H2'' ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -68.61 -41.6 82.94 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 O-C-N 123.28 0.363 . . . . 10.0 111.117 -179.366 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.64 ' NE2' ' H71' ' C' ' 20' ' ' ' DT' . 23.4 mt-30 -54.41 -46.49 73.17 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.972 -0.751 . . . . 10.0 108.972 178.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.661 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 1.1 t -177.63 161.44 1.68 Allowed 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.796 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.635 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 1.6 m -80.5 163.17 23.95 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 107.155 -1.424 . . . . 10.0 107.155 -176.056 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.617 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -72.67 1.22 8.75 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 112.201 -2.272 . . . . 10.0 112.271 -179.839 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.13 -149.09 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.764 0.793 . . . . 10.0 111.656 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.57 ' CE2' ' HD3' ' A' ' 42' ' ' ARG . 1.4 t80 -110.88 69.43 0.69 Allowed 'General case' 0 N--CA 1.442 -0.826 0 O-C-N 121.083 -1.01 . . . . 10.0 108.855 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.78 29.96 14.47 Favored Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 114.994 -1.003 . . . . 10.0 114.541 178.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.8 t -83.96 75.54 10.12 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 117.715 0.758 . . . . 10.0 112.119 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.661 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 58.6 mttt -72.06 65.16 0.56 Allowed 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.658 -0.867 . . . . 10.0 108.658 176.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -91.11 27.25 1.92 Allowed 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.65 -0.656 . . . . 10.0 111.634 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HD3' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -23.68 136.37 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 124.808 1.317 . . . . 10.0 111.71 -179.352 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.436 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -46.31 109.77 0.22 Allowed 'General case' 0 C--N 1.349 0.569 0 CA-C-O 121.873 0.844 . . . . 10.0 111.287 -176.83 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.63 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 67.1 t0 -133.78 118.31 17.89 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 104.565 -2.383 . . . . 10.0 104.565 176.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HD3' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -62.94 -17.3 61.7 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 114.386 -1.279 . . . . 10.0 110.572 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.439 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -71.46 -27.66 63.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.876 -1.056 . . . . 10.0 109.777 178.577 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -100.85 142.44 24.62 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 114.936 -1.029 . . . . 10.0 108.338 179.507 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 18' ' ' LYS . 25.6 Cg_endo -90.74 77.03 0.72 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 121.76 1.64 . . . . 10.0 115.496 -176.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.441 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 1.6 m -145.31 148.2 17.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-O 121.37 0.605 . . . . 10.0 111.537 179.123 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 p -103.45 167.86 9.53 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 114.506 -1.224 . . . . 10.0 108.526 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.436 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 1.7 m-85 -121.27 102.05 8.04 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 116.518 2.044 . . . . 10.0 116.518 -177.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.711 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.52 160.17 15.87 Favored 'General case' 0 C--O 1.202 -1.428 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 -171.168 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.63 ' HB2' ' H72' ' B' ' 8' ' ' ' DT' . 5.4 mtpt -94.98 162.0 13.91 Favored 'General case' 0 C--N 1.307 -1.276 0 C-N-CA 119.182 -1.007 . . . . 10.0 111.563 178.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.848 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.2 m-85 -56.01 157.16 8.83 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 118.79 0.723 . . . . 10.0 110.762 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.612 ' HB3' HD13 ' A' ' 72' ' ' LEU . 65.1 Cg_endo -76.98 66.86 7.65 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.733 2.288 . . . . 10.0 108.871 177.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 27' ' ' LEU . 12.1 mt -50.5 -35.26 28.45 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-O 124.408 2.051 . . . . 10.0 115.215 -176.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.448 HG21 " H3'" ' B' ' 6' ' ' ' DT' . 30.7 p -88.27 -0.81 57.55 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 109.291 -3.595 . . . . 10.0 113.119 -175.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.542 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.82 57.94 35.27 Favored Pre-proline 0 N--CA 1.445 -0.68 0 N-CA-C 105.92 -1.881 . . . . 10.0 105.92 174.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.491 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 3.0 Cg_endo -44.34 -55.8 2.97 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 124.173 3.249 . . . . 10.0 115.733 -175.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 m -50.98 -46.12 61.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.996 0.427 . . . . 10.0 109.949 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.444 ' CB ' ' HD3' ' A' ' 29' ' ' ARG . 1.6 tm? -70.37 -34.87 73.09 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.242 -1.022 . . . . 10.0 108.242 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.848 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 40.1 t -61.9 -37.83 86.06 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 107.099 -1.445 . . . . 10.0 107.099 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.03 -25.85 65.59 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 113.591 0.96 . . . . 10.0 113.591 -175.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.468 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -73.97 -24.12 59.57 Favored 'General case' 0 CA--C 1.493 -1.232 0 C-N-CA 116.418 -2.113 . . . . 10.0 109.272 179.253 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.607 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.2 m0 -57.21 -30.57 64.67 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 106.05 -1.833 . . . . 10.0 106.05 178.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -55.36 -47.56 75.58 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 123.774 1.749 . . . . 10.0 109.972 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -56.15 -34.48 66.19 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 110.419 -3.082 . . . . 10.0 112.451 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.06 -14.5 41.29 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 120.956 0.408 . . . . 10.0 110.635 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 36' ' ' TRP . 22.2 t -91.66 43.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 106.855 -1.535 . . . . 10.0 106.855 173.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.447 ' HD2' ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -56.46 14.21 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 113.485 -1.689 . . . . 10.0 115.477 -177.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.57 ' HD3' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -98.78 142.76 29.91 Favored 'General case' 0 C--N 1.313 -1.013 0 O-C-N 121.3 -0.875 . . . . 10.0 111.593 -179.356 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 2.8 tttt -54.31 -44.05 71.66 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.381 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.47 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -82.85 65.34 7.93 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.234 -0.894 . . . . 10.0 109.913 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.532 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 9.2 t80 -60.85 119.42 8.19 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 114.986 -1.007 . . . . 10.0 109.132 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.635 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -59.94 -172.07 0.04 OUTLIER Pre-proline 0 C--O 1.22 -0.473 0 CA-C-N 114.958 -1.019 . . . . 10.0 110.959 178.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.744 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 99.8 Cg_exo -44.5 175.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.363 1.292 0 C-N-CA 122.138 1.892 . . . . 10.0 111.964 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.484 ' HB ' ' HE3' ' A' ' 49' ' ' LYS . 11.8 p -97.36 161.61 13.71 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 103.29 -2.856 . . . . 10.0 103.29 172.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.576 ' HE2' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -27.77 -17.63 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 O-C-N 127.735 3.147 . . . . 10.0 117.868 175.087 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.731 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 62.0 m-85 -73.78 -29.52 62.24 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 104.535 -2.394 . . . . 10.0 104.535 173.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.744 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 6.9 p -65.43 173.13 2.79 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 121.056 1.753 . . . . 10.0 108.797 173.507 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.617 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -109.65 163.61 13.32 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 114.818 -1.083 . . . . 10.0 110.148 -178.529 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.617 HD12 ' C ' ' A' ' 52' ' ' SER . 3.2 mp -131.79 158.48 43.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 N-CA-C 107.749 -1.204 . . . . 10.0 107.749 -177.14 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.556 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.3 p -106.36 156.33 18.62 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.778 1.172 . . . . 10.0 111.833 178.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.711 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.4 p -49.98 -40.45 44.24 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 118.294 2.701 . . . . 10.0 118.294 -173.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -15.81 2.54 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 114.344 1.238 . . . . 10.0 114.344 -176.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.563 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 95.4 m-70 -85.21 -16.67 39.51 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 114.529 1.307 . . . . 10.0 114.529 -177.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.488 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -138.56 138.82 38.32 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 118.249 0.477 . . . . 10.0 110.956 -178.468 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -43.5 138.14 2.92 Favored Pre-proline 0 N--CA 1.429 -1.486 0 CA-C-N 114.597 -1.183 . . . . 10.0 111.041 179.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.549 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.9 Cg_endo -50.39 -28.39 20.91 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.936 2.424 . . . . 10.0 112.399 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.583 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 1.7 m-20 -60.06 -50.82 72.21 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 106.78 -1.563 . . . . 10.0 106.78 174.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.56 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -88.86 5.87 41.79 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 113.925 1.083 . . . . 10.0 113.925 -174.358 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.549 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -39.52 -56.9 1.55 Allowed 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 113.771 1.026 . . . . 10.0 113.771 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.464 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 0.2 OUTLIER -176.36 -141.35 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -177.671 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -13.71 5.07 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.391 0.677 . . . . 10.0 112.584 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -82.73 5.8 20.18 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.088 -0.338 . . . . 10.0 110.088 178.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.834 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 3.9 t -70.49 -109.52 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.627 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.405 ' N ' ' OG ' ' A' ' 67' ' ' SER . 1.6 m120 -100.98 -69.13 0.79 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.384 0.513 . . . . 10.0 112.384 -178.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -99.42 -71.02 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.294 0.479 . . . . 10.0 112.294 -178.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -145.91 -2.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.407 0.521 . . . . 10.0 112.407 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.834 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -138.24 -163.95 1.54 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 118.748 -0.644 . . . . 10.0 109.755 -179.609 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.702 HD12 HD13 ' A' ' 71' ' ' LEU . 4.0 mp -64.39 -170.71 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 122.589 1.185 . . . . 10.0 109.534 -177.28 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.645 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 2.0 mmmm -87.51 102.66 14.79 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 102.595 -3.113 . . . . 10.0 102.595 170.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.542 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 4.6 pt-20 -49.92 -5.04 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 115.916 1.821 . . . . 10.0 115.916 -178.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -110.01 16.68 21.73 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.868 176.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.38 146.88 38.96 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 123.644 1.688 . . . . 10.0 109.717 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.437 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -148.58 151.01 35.09 Favored Pre-proline 0 N--CA 1.449 -0.482 0 CA-C-N 110.484 -3.053 . . . . 10.0 108.244 -177.583 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.544 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 2.1 Cg_endo -45.46 120.4 3.21 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 123.498 2.798 . . . . 10.0 107.537 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.03 -9.88 8.2 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 113.457 -1.701 . . . . 10.0 108.695 177.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.412 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.7 OUTLIER -94.6 6.74 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-N 115.402 -0.817 . . . . 10.0 111.1 -176.429 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.563 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.0 OUTLIER -40.7 -47.29 2.78 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.84 1.052 . . . . 10.0 113.84 -177.768 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.46 HD11 ' HG3' ' A' ' 86' ' ' PRO . 0.3 OUTLIER -166.76 166.73 15.62 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.286 -0.265 . . . . 10.0 110.286 -179.247 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -80.29 -53.31 6.75 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.592 -0.892 . . . . 10.0 108.592 178.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -162.02 -70.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.329 179.206 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.477 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.5 p -152.37 128.59 5.24 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.931 0.396 . . . . 10.0 111.294 -179.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 8.3 Cg_exo -69.47 155.21 67.53 Favored 'Trans proline' 0 C--O 1.237 0.442 0 C-N-CA 123.048 2.498 . . . . 10.0 112.31 179.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.404 ' H ' ' HG3' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.802 0 CA-C-O 117.923 -1.036 . . . . 10.0 109.48 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.803 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.618 0 O5'-C5'-C4' 111.379 0.842 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.803 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.971 0 O4'-C1'-C2' 107.144 0.949 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.861 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 O4'-C1'-N19 108.742 1.178 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.861 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 O4'-C1'-C2' 107.254 1.049 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.752 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 O4'-C1'-N19 108.675 1.093 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.752 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.033 0 O4'-C4'-C3' 104.568 -1.032 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.972 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.512 -0.588 0 O4'-C1'-N19 109.179 1.724 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.972 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 O4'-C1'-N19 108.867 1.334 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.427 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.258 0 O4'-C1'-N19 109.242 1.803 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.784 H2'' HG21 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.42 -1.259 0 O4'-C1'-N19 109.59 2.237 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.408 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.087 0 O3'-P-O5' 99.932 -2.141 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.675 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 C2'-C3'-O3' 113.68 1.141 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.675 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 C2'-C3'-O3' 113.05 0.907 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.834 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.542 0 O4'-C1'-C2' 107.121 0.928 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.178 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 1.036 0 O4'-C1'-N19 109.969 2.711 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.178 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.451 2.367 2 N19-C1'-C2' 103.369 -6.77 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.508 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 O4'-C1'-N19 108.903 1.379 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.702 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-N19 108.612 1.015 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.822 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.704 0 O4'-C1'-C2' 106.954 0.777 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.822 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.368 1.153 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.597 ' C8 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 O4'-C1'-C2' 107.155 0.959 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.731 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.419 -1.314 0 O4'-C1'-N19 109.256 1.82 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.694 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 P-O5'-C5' 118.168 -1.708 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 O4'-C1'-N19 108.699 1.123 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 O4'-C4'-C3' 104.554 -1.046 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.404 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 O3'-P-O5' 101.754 -1.182 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.631 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 O4'-C4'-C3' 104.612 -0.988 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.631 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-C2' 107.072 0.884 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.594 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 O4'-C1'-N19 108.617 1.021 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.507 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C4'-C3' 104.53 -1.07 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.51 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-C2' 107.142 0.947 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.51 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 O4'-C1'-C2' 106.948 0.771 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.655 ' HA ' ' OG ' ' A' ' 52' ' ' SER . 0.7 OUTLIER . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 108.545 -0.909 . . . . 10.0 108.545 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.632 HG21 H2'' ' B' ' 10' ' ' ' DG' . 0.1 OUTLIER -69.23 -46.7 77.04 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.548 0 C-N-CA 120.496 -0.482 . . . . 10.0 110.226 -179.648 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.565 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 12.5 mt-30 -62.05 -56.23 21.12 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.753 178.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.579 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 2.6 t -178.24 171.12 1.7 Allowed 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.071 0.462 . . . . 10.0 111.547 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.27 156.77 26.67 Favored 'General case' 0 C--N 1.339 0.138 0 N-CA-C 107.093 -1.447 . . . . 10.0 107.093 -176.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.649 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -67.96 3.82 1.41 Allowed 'General case' 0 C--N 1.349 0.553 0 CA-C-N 114.076 -1.42 . . . . 10.0 112.621 179.213 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.06 -149.19 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.064 0.765 . . . . 10.0 113.064 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.401 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 1.1 t80 -115.12 70.69 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.519 0.676 . . . . 10.0 109.935 -178.225 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.49 28.52 26.98 Favored Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 120.583 -0.818 . . . . 10.0 113.935 178.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.1 t -89.98 74.31 7.29 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.579 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 43.9 mttp -71.23 65.89 0.41 Allowed 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.497 -0.927 . . . . 10.0 108.497 176.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.61 31.09 0.6 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.848 -0.532 . . . . 10.0 110.951 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.482 ' HD3' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -23.6 134.32 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 O-C-N 125.077 1.486 . . . . 10.0 111.902 -179.484 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.96 114.46 0.79 Allowed 'General case' 0 CA--C 1.508 -0.643 0 CA-C-O 122.271 1.034 . . . . 10.0 109.672 -177.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -141.73 112.54 7.26 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 104.719 -2.326 . . . . 10.0 104.719 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -20.35 64.3 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.453 -0.794 . . . . 10.0 109.885 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.45 -26.83 66.59 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.506 -1.225 . . . . 10.0 109.722 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.68 141.07 22.13 Favored Pre-proline 0 C--O 1.235 0.334 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 178.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -85.87 74.57 3.37 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 N-CA-C 116.276 1.606 . . . . 10.0 116.276 -176.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.42 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 3.7 m -145.84 144.86 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-O 121.154 0.502 . . . . 10.0 110.959 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.55 169.05 8.76 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 114.722 -1.126 . . . . 10.0 108.805 178.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -117.75 103.74 10.29 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 118.155 2.65 . . . . 10.0 118.155 -177.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.659 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -100.4 -174.93 2.78 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 114.631 1.345 . . . . 10.0 114.631 -171.242 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.571 ' HD3' ' H72' ' B' ' 8' ' ' ' DT' . 2.1 ttpt -125.8 164.83 19.83 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 103.976 -2.601 . . . . 10.0 103.976 -177.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.828 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.5 m-85 -61.16 157.86 40.08 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 119.445 1.021 . . . . 10.0 110.882 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.592 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 89.2 Cg_endo -75.58 86.65 1.45 Allowed 'Trans proline' 0 CA--C 1.514 -0.494 0 C-N-CA 122.322 2.014 . . . . 10.0 107.343 176.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.1 mt -69.93 -35.29 74.42 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 112.664 -2.062 . . . . 10.0 114.232 -174.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.4 p -94.07 9.83 36.11 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 113.179 -1.828 . . . . 10.0 110.429 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.432 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -132.78 55.8 19.19 Favored Pre-proline 0 N--CA 1.445 -0.676 0 N-CA-C 106.481 -1.674 . . . . 10.0 106.481 175.031 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.541 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.5 Cg_endo -48.72 -52.04 9.3 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.564 2.843 . . . . 10.0 114.4 -176.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -53.29 -43.93 67.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.561 0.696 . . . . 10.0 109.632 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.42 HD21 ' O ' ' A' ' 76' ' ' ALA . 1.3 tm? -71.1 -33.78 70.49 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.89 -1.152 . . . . 10.0 107.89 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.828 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 42.2 t -63.48 -37.46 87.38 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 106.609 -1.626 . . . . 10.0 106.609 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -66.11 -26.3 67.39 Favored 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 113.191 0.811 . . . . 10.0 113.191 -176.538 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.464 ' HG2' ' H ' ' A' ' 35' ' ' GLU . 0.8 OUTLIER -75.31 -24.47 57.44 Favored 'General case' 0 CA--C 1.495 -1.166 0 C-N-CA 116.533 -2.067 . . . . 10.0 109.008 179.29 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.651 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.7 m0 -58.17 -29.18 65.4 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 105.566 -2.013 . . . . 10.0 105.566 178.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -56.45 -48.23 77.47 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-O 123.472 1.606 . . . . 10.0 109.677 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -56.38 -32.42 64.77 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 110.944 -2.844 . . . . 10.0 112.871 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.88 -15.22 39.71 Favored 'General case' 0 C--N 1.308 -1.226 0 C-N-CA 120.368 -0.533 . . . . 10.0 110.598 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 36' ' ' TRP . 6.3 t -93.44 39.03 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 108.205 -1.035 . . . . 10.0 108.205 174.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.99 14.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 116.062 1.875 . . . . 10.0 116.062 -177.045 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.412 ' HA ' ' HD2' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -97.62 155.35 17.02 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 121.305 -0.872 . . . . 10.0 111.426 -179.509 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -63.31 -41.9 98.96 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.492 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.81 62.46 6.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.428 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.629 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 2.3 t80 -61.96 124.79 21.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.365 -0.834 . . . . 10.0 109.541 179.086 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.649 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -64.11 -171.83 0.06 OUTLIER Pre-proline 0 CA--C 1.547 0.833 0 CA-C-N 114.633 -1.167 . . . . 10.0 111.02 179.123 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.773 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 79.7 Cg_exo -45.95 178.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 122.939 2.426 . . . . 10.0 112.68 178.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.676 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 37.1 p -80.15 -153.16 0.08 Allowed 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 103.951 -2.611 . . . . 10.0 103.951 173.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.574 ' HD3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -90.7 -4.72 56.52 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 112.277 -2.238 . . . . 10.0 113.771 -174.821 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.722 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 61.2 m-85 -78.36 -27.71 46.99 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 105.731 -1.951 . . . . 10.0 105.731 175.305 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.773 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 4.0 p -64.46 174.14 1.82 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 121.12 1.782 . . . . 10.0 107.725 173.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.655 ' OG ' ' HA ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -109.29 165.11 11.87 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 114.803 -1.09 . . . . 10.0 110.31 -178.426 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.639 HD12 ' C ' ' A' ' 52' ' ' SER . 3.4 mp -134.14 159.28 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 N-CA-C 108.774 -0.824 . . . . 10.0 108.774 -176.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 16.3 p -106.9 159.58 16.15 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 119.941 1.246 . . . . 10.0 111.887 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.601 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 5.4 p -55.16 -40.99 71.28 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 118.894 2.924 . . . . 10.0 118.894 -172.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -14.4 2.39 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 114.695 1.368 . . . . 10.0 114.695 -175.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.516 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 91.0 m-70 -85.78 -16.99 37.08 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 114.458 1.281 . . . . 10.0 114.458 -177.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.19 138.95 37.36 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 118.576 0.625 . . . . 10.0 111.086 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p -42.77 138.57 2.24 Favored Pre-proline 0 N--CA 1.434 -1.24 0 O-C-N 124.682 1.239 . . . . 10.0 111.188 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.629 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 7.5 Cg_endo -49.16 -30.04 17.98 Favored 'Trans proline' 0 N--CA 1.449 -1.109 0 C-N-CA 122.99 2.46 . . . . 10.0 112.65 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.477 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -60.05 -50.72 72.61 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 113.559 -1.655 . . . . 10.0 107.39 174.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.715 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -90.34 7.61 37.65 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 -174.507 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.629 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -41.4 -56.54 2.46 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.879 -1.055 . . . . 10.0 113.249 179.731 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.513 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 4.6 pttt -175.75 -139.88 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 112.015 0.376 . . . . 10.0 112.015 -177.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.448 ' HG2' ' H ' ' A' ' 65' ' ' ARG . 6.8 ptm180 -61.0 -12.73 12.42 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.017 0.527 . . . . 10.0 112.354 -178.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.59 6.11 18.72 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.791 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 1.2 t -69.27 -106.33 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.321 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.484 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -101.94 -62.59 1.24 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.346 0.498 . . . . 10.0 112.346 -178.517 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -108.3 -70.97 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.738 -0.665 . . . . 10.0 112.435 -177.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.5 1.06 0.8 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.647 0.61 . . . . 10.0 112.647 -178.398 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.878 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -142.78 -166.14 2.22 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 -179.789 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.878 HD12 HD13 ' A' ' 71' ' ' LEU . 1.9 mp -63.08 -174.07 0.07 Allowed 'General case' 0 N--CA 1.482 1.146 0 CA-C-O 122.576 1.179 . . . . 10.0 109.518 -176.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.599 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 3.4 mmmm -87.54 101.44 13.62 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 102.651 -3.092 . . . . 10.0 102.651 170.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.432 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -49.02 -5.49 0.02 OUTLIER 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 116.346 1.98 . . . . 10.0 116.346 -177.697 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -109.13 19.93 18.93 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 121.297 0.57 . . . . 10.0 110.08 176.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.456 ' HB3' ' OG ' ' A' ' 62' ' ' SER . . . -142.87 146.36 34.01 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 123.307 1.527 . . . . 10.0 110.407 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.538 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -146.7 151.78 43.34 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 111.487 -2.597 . . . . 10.0 108.716 -177.672 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.538 ' HD2' HG23 ' A' ' 77' ' ' VAL . 1.7 Cg_endo -45.92 120.81 3.76 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 123.514 2.809 . . . . 10.0 106.662 177.044 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.9 t -123.63 -10.36 7.86 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 113.325 -1.762 . . . . 10.0 109.057 178.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.443 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -95.63 6.19 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.504 -177.028 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.516 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 0.7 OUTLIER -40.08 -48.87 2.53 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.176 0.806 . . . . 10.0 113.176 -178.182 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -172.17 157.94 4.4 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.816 -0.439 . . . . 10.0 109.816 -179.674 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -78.24 -64.95 1.05 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 123.724 0.64 . . . . 10.0 110.195 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.34 -71.42 0.35 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.545 -0.298 . . . . 10.0 110.691 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.5 p -164.74 133.83 2.79 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-O 120.572 0.225 . . . . 10.0 110.843 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 24.2 Cg_exo -63.98 170.32 9.08 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.069 2.513 . . . . 10.0 112.159 178.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 87' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.665 -0.683 . . . . 10.0 110.56 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.776 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 O4'-C1'-C2' 107.097 0.907 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.776 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 O4'-C1'-N19 108.768 1.21 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.923 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 O4'-C1'-N19 109.143 1.678 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.923 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O3'-P-O5' 102.033 -1.035 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.744 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-C2' 107.161 0.964 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.744 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C1'-N19 108.609 1.011 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.99 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.629 0 O4'-C1'-N19 109.039 1.549 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.99 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.653 0 N19-C1'-C2' 116.269 1.293 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.518 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.419 -1.311 0 O4'-C1'-N19 109.407 2.009 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.632 H2'' HG21 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.419 -1.335 0 O4'-C1'-N19 109.301 1.877 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.102 0 O3'-P-O5' 101.359 -1.39 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.156 0 C2'-C3'-O3' 114.041 1.274 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.555 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 P-O5'-C5' 119.601 -0.812 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.844 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 O4'-C1'-C2' 107.073 0.884 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.128 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.442 0.867 0 O4'-C1'-N19 109.522 2.153 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.128 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.452 2.447 2 N19-C1'-C2' 103.523 -6.673 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.734 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-N19 108.601 1.001 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.734 ' C8 ' H2'' ' C' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.716 0 O4'-C1'-N19 108.673 1.091 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.795 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 O4'-C1'-C2' 107.19 0.991 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.795 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C5'-C4'-C3' 116.258 1.039 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.481 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 O4'-C1'-C2' 107.099 0.908 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.707 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.42 -1.253 0 O4'-C1'-N19 109.209 1.761 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.722 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 P-O5'-C5' 118.479 -1.513 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.404 ' OP2' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-N19 109.1 1.625 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 O4'-C4'-C3' 104.536 -1.064 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.502 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 O4'-C1'-N19 108.834 1.292 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.768 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 O4'-C1'-C2' 107.104 0.913 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.768 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-N19 108.694 1.117 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.675 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.624 0 O4'-C1'-C2' 107.294 1.085 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.439 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 O4'-C4'-C3' 104.649 -0.951 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.515 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 O4'-C1'-N19 108.664 1.08 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.515 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O4'-C1'-C2' 107.103 0.912 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.788 ' SD ' ' HA ' ' A' ' 51' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 108.922 -0.77 . . . . 10.0 108.922 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.511 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 7.5 p -71.32 -21.79 21.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.488 -0.485 . . . . 10.0 109.693 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -55.74 -60.37 3.54 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.725 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.505 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 2.0 t -179.33 170.41 1.37 Allowed 'General case' 0 C--O 1.239 0.503 0 O-C-N 123.406 0.441 . . . . 10.0 110.441 178.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.25 178.27 7.23 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 123.061 1.41 . . . . 10.0 108.07 -177.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 t -82.77 -13.35 56.43 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 111.509 -2.587 . . . . 10.0 110.89 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.75 166.9 18.27 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 106.037 -1.838 . . . . 10.0 106.037 176.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.442 ' CD1' ' HB2' ' A' ' 42' ' ' ARG . 15.8 p90 -101.54 100.11 10.5 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 122.25 1.024 . . . . 10.0 113.336 -175.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.78 -13.12 10.76 Favored Glycine 0 C--N 1.297 -1.617 0 C-N-CA 119.837 -1.173 . . . . 10.0 114.52 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 12' ' ' ASN . 42.6 t -88.08 76.17 8.59 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 113.686 0.995 . . . . 10.0 113.686 -177.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.505 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 94.9 mttt -74.93 66.15 1.51 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.467 -1.679 . . . . 10.0 106.467 174.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.491 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 0.3 OUTLIER -82.24 43.65 0.81 Allowed 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 118.379 0.536 . . . . 10.0 111.607 -178.563 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.511 ' HD3' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -35.82 138.18 0.19 Allowed 'General case' 0 C--N 1.302 -1.458 0 O-C-N 124.624 1.202 . . . . 10.0 111.114 179.16 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.443 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -45.81 108.86 0.14 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.844 0.683 . . . . 10.0 112.844 -178.063 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.471 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 18.5 t0 -132.84 108.85 9.23 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 106.187 -1.782 . . . . 10.0 106.187 177.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -61.12 -23.27 65.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.791 0.805 . . . . 10.0 111.325 -178.9 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.423 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -63.7 -27.42 69.2 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.177 -1.374 . . . . 10.0 109.527 178.162 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.642 ' HZ2' HG22 ' A' ' 20' ' ' VAL . 3.7 pttp -104.91 146.07 31.94 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 114.8 -1.091 . . . . 10.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -89.47 78.22 0.99 Allowed 'Trans proline' 0 CA--C 1.535 0.555 0 N-CA-C 117.88 2.223 . . . . 10.0 117.88 -176.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.642 HG22 ' HZ2' ' A' ' 18' ' ' LYS . 0.9 OUTLIER -146.8 145.77 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 O-C-N 121.887 -0.508 . . . . 10.0 111.007 176.496 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.49 169.68 8.44 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.378 -0.828 . . . . 10.0 108.879 177.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.443 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -116.24 102.56 9.68 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 118.025 2.602 . . . . 10.0 118.025 -176.281 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.739 ' CE1' ' HE2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -106.25 160.36 15.4 Favored 'General case' 0 C--O 1.194 -1.862 0 N-CA-C 115.161 1.541 . . . . 10.0 115.161 -170.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.72 164.87 12.58 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 119.149 -1.02 . . . . 10.0 111.877 177.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.829 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.7 m-85 -59.44 156.39 31.38 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 118.422 0.555 . . . . 10.0 110.701 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.681 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 68.8 Cg_endo -78.02 67.76 7.99 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.823 2.349 . . . . 10.0 108.949 177.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.549 HD21 ' HG3' ' A' ' 49' ' ' LYS . 8.4 mt -50.16 -37.52 35.01 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-N 112.44 -2.163 . . . . 10.0 115.653 -177.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.5 p -85.01 -2.0 57.46 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 108.853 -3.794 . . . . 10.0 114.057 -175.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.524 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 3.5 ttm105 -133.59 63.72 65.35 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 105.531 -2.026 . . . . 10.0 105.531 173.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.556 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 4.3 Cg_endo -46.37 -52.6 7.08 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.738 2.959 . . . . 10.0 115.458 -175.234 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -51.99 -45.44 64.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.053 0.454 . . . . 10.0 110.19 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.524 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 1.9 tm? -69.84 -33.36 72.18 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.104 -1.073 . . . . 10.0 108.104 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.829 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 51.3 t -63.61 -36.72 84.75 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 107.98 -1.119 . . . . 10.0 107.98 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.64 -26.18 66.1 Favored 'General case' 0 N--CA 1.424 -1.758 0 N-CA-C 113.724 1.009 . . . . 10.0 113.724 -175.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.47 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -75.91 -18.44 59.37 Favored 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 116.212 -2.195 . . . . 10.0 109.346 179.746 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.734 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.6 m0 -61.2 -29.91 70.1 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 106.326 -1.731 . . . . 10.0 106.326 177.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -56.63 -39.06 72.99 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 124.151 1.929 . . . . 10.0 111.458 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.07 -29.76 68.79 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 109.732 -3.395 . . . . 10.0 109.838 -175.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.88 -15.34 32.38 Favored 'General case' 0 C--N 1.309 -1.161 0 C-N-CA 120.334 -0.546 . . . . 10.0 110.338 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 36' ' ' TRP . 4.9 t -91.53 43.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.172 -1.048 . . . . 10.0 108.172 175.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.06 14.37 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.533 1.309 . . . . 10.0 114.533 -178.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.708 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 28.5 tpt180 -86.27 141.59 29.16 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 122.235 -0.29 . . . . 10.0 111.191 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.708 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 27.0 ttpp -71.32 161.47 31.02 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 105.942 -1.873 . . . . 10.0 105.942 175.191 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.431 ' OD1' ' HG2' ' A' ' 43' ' ' LYS . 0.3 OUTLIER 58.76 36.42 24.81 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.694 -0.854 . . . . 10.0 108.694 -179.315 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.666 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 1.9 t80 -28.58 129.65 0.07 Allowed 'General case' 0 C--N 1.349 0.546 0 O-C-N 125.023 1.452 . . . . 10.0 111.968 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.666 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -57.0 -172.57 0.03 OUTLIER Pre-proline 0 C--O 1.221 -0.445 0 CA-C-N 114.343 -1.299 . . . . 10.0 110.72 178.742 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.772 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 87.4 Cg_exo -46.3 173.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.634 1.556 . . . . 10.0 111.511 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.629 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 38.3 p -81.35 -153.24 0.1 Allowed 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 103.236 -2.875 . . . . 10.0 103.236 173.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.682 ' HD2' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -90.11 -5.87 56.05 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 112.056 -2.338 . . . . 10.0 113.781 -174.052 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.673 ' CD2' ' H5 ' ' C' ' 23' ' ' ' DC' . 82.6 m-85 -76.52 -29.51 56.78 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 105.473 -2.047 . . . . 10.0 105.473 174.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.788 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 11.3 p -64.03 172.67 2.23 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 118.023 -1.471 . . . . 10.0 108.209 173.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.577 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -110.78 161.45 15.77 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 114.598 -1.183 . . . . 10.0 109.399 -179.18 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.577 HD12 ' C ' ' A' ' 52' ' ' SER . 3.0 mp -129.78 159.47 41.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 108.076 -1.083 . . . . 10.0 108.076 -175.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.566 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.5 p -106.06 157.39 17.57 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 119.658 1.117 . . . . 10.0 111.871 178.287 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.838 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 0.1 OUTLIER -55.84 -36.85 67.98 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 119.298 3.073 . . . . 10.0 119.298 -172.802 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -15.04 3.21 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 113.137 0.792 . . . . 10.0 113.137 -176.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.45 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 89.2 m-70 -86.77 -16.85 35.07 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 114.039 1.125 . . . . 10.0 114.039 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.739 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -120.34 173.81 6.91 Favored 'General case' 0 CA--C 1.497 -1.07 0 CA-C-O 121.155 0.503 . . . . 10.0 110.003 -178.848 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.78 139.5 37.59 Favored Pre-proline 0 N--CA 1.421 -1.895 0 N-CA-C 108.252 -1.018 . . . . 10.0 108.252 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.603 ' O ' ' HB2' ' A' ' 63' ' ' PHE . 6.8 Cg_endo -47.83 -32.84 18.12 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 123.096 2.531 . . . . 10.0 111.891 179.023 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.584 ' O ' ' HA ' ' A' ' 67' ' ' SER . 0.9 OUTLIER -57.5 -49.48 76.18 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 114.204 -1.362 . . . . 10.0 109.833 177.359 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.572 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -91.56 6.89 43.9 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 114.068 -1.424 . . . . 10.0 114.186 -174.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.838 ' CE1' ' HB3' ' A' ' 55' ' ' SER . 0.4 OUTLIER -37.7 -64.14 0.41 Allowed 'General case' 0 CA--C 1.56 1.335 0 CA-C-N 113.755 -1.566 . . . . 10.0 115.178 179.213 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.654 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -174.91 -129.45 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 119.456 1.025 . . . . 10.0 113.002 -177.774 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.588 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -55.52 -34.14 64.39 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.48 -0.762 . . . . 10.0 110.527 179.702 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 62.0 mp0 -84.7 6.45 24.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.129 -0.941 . . . . 10.0 111.261 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.797 ' OG ' ' HD2' ' A' ' 73' ' ' LYS . 4.3 t -72.3 -91.42 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.072 -0.513 . . . . 10.0 112.046 -179.084 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -99.93 -72.02 0.68 Allowed 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.393 0.616 . . . . 10.0 110.578 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.474 ' CG ' ' H ' ' A' ' 70' ' ' LYS . 18.7 p-10 -110.56 -65.35 1.17 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.588 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 5.3 tttt -146.44 1.8 0.83 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.659 -0.867 . . . . 10.0 108.659 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.836 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -143.09 -170.19 3.2 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.969 -1.014 . . . . 10.0 109.461 -179.52 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.836 HD12 HD13 ' A' ' 71' ' ' LEU . 0.4 OUTLIER -63.27 -178.65 0.26 Allowed 'General case' 0 N--CA 1.477 0.88 0 CA-C-O 122.337 1.065 . . . . 10.0 110.241 -175.751 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.797 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 1.1 mmmm -88.4 112.2 22.63 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 104.602 -2.37 . . . . 10.0 104.602 172.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -49.93 -11.46 0.06 Allowed 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 115.358 1.614 . . . . 10.0 115.358 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -109.71 22.73 15.34 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.151 -0.931 . . . . 10.0 111.332 176.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.401 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -142.0 145.57 34.58 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 123.352 1.549 . . . . 10.0 109.777 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.506 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -150.67 148.85 24.45 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 111.232 -2.713 . . . . 10.0 108.046 -178.422 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.557 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 2.3 Cg_endo -46.59 121.03 4.37 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.631 2.887 . . . . 10.0 108.376 177.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 t -124.75 -10.24 7.28 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 113.961 -1.472 . . . . 10.0 110.026 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -89.26 5.04 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 115.513 -0.767 . . . . 10.0 112.553 -175.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.589 ' HE2' HG22 ' A' ' 40' ' ' VAL . 6.0 m-30 -40.64 -69.19 0.14 Allowed 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.623 0.971 . . . . 10.0 113.623 -177.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 82' ' ' LEU . 6.7 mt -163.67 165.69 23.04 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.884 0.373 . . . . 10.0 110.788 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -68.71 -54.48 15.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.581 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.53 -74.66 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.085 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.2 m -141.88 151.38 59.41 Favored Pre-proline 0 N--CA 1.451 -0.383 0 N-CA-C 108.547 -0.909 . . . . 10.0 108.547 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -67.47 149.11 80.06 Favored 'Trans proline' 0 CA--C 1.515 -0.443 0 C-N-CA 122.767 2.312 . . . . 10.0 111.844 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 . . . . . 0 C--O 1.25 1.084 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.959 178.87 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.894 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.562 0 O5'-C5'-C4' 111.475 0.911 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.894 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 O4'-C4'-C3' 104.625 -0.975 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.921 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O4'-C1'-N19 108.931 1.414 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.921 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-N19 108.79 1.238 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.754 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-N19 108.527 0.908 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.754 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-N19 108.726 1.158 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.951 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.694 0 O4'-C1'-N19 109.412 2.015 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.951 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 N19-C1'-C2' 116.547 1.467 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.468 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.422 -1.104 0 O4'-C1'-N19 109.341 1.926 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.468 ' OP2' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.276 0 O4'-C1'-N19 109.396 1.995 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.815 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 O3'-P-O5' 100.318 -1.938 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.815 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.067 0 C2'-C3'-O3' 113.263 0.986 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.59 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-C2' 107.117 0.925 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.908 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 O4'-C1'-C2' 107.259 1.054 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.097 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.442 0.845 0 O4'-C1'-N19 109.304 1.88 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.097 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.453 2.515 2 N19-C1'-C2' 103.55 -6.656 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.718 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-N19 108.908 1.385 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.718 ' C8 ' H2'' ' C' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-N19 108.779 1.224 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.703 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-C2' 107.16 0.963 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.703 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 O4'-C1'-C2' 107.436 1.214 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.47 H2'' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.085 0 O4'-C1'-C2' 107.084 0.895 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.658 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.417 -1.462 0 O4'-C1'-N19 109.382 1.978 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.673 ' H5 ' ' CD2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 O3'-P-O5' 100.489 -1.848 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-N19 109.275 1.844 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . 0.474 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 O4'-C1'-N19 108.798 1.248 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.474 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 P-O5'-C5' 119.227 -1.046 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.715 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 O4'-C1'-N19 108.579 0.974 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.715 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 O4'-C1'-C2' 107.156 0.96 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.476 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O4'-C1'-N19 108.703 1.129 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.442 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 O4'-C1'-N19 108.631 1.039 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.56 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-N19 108.612 1.015 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.56 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 O4'-C1'-C2' 107.056 0.869 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.403 ' HG2' ' HG2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.575 HG21 H2'' ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -69.0 -38.45 78.49 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 CA-C-O 120.868 0.366 . . . . 10.0 110.308 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -56.92 -56.35 22.84 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.541 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -179.84 173.45 1.0 Allowed 'General case' 0 C--O 1.239 0.526 0 O-C-N 123.457 0.473 . . . . 10.0 110.45 179.456 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.689 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 4.3 m -79.99 177.22 9.08 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 122.796 1.284 . . . . 10.0 107.776 -177.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.542 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 30.6 t -82.69 -1.72 52.08 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 111.414 -2.63 . . . . 10.0 110.941 -178.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.451 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . . . -57.99 -149.92 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.98 0.895 . . . . 10.0 113.148 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -113.12 72.34 0.77 Allowed 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.1 -0.704 . . . . 10.0 109.1 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.88 28.07 29.9 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.284 -0.96 . . . . 10.0 113.993 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.459 ' O ' ' SG ' ' A' ' 10' ' ' CYS . 2.0 t -79.39 75.46 5.98 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 117.385 0.592 . . . . 10.0 112.17 -178.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.541 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 18.0 mttt -73.75 65.81 1.04 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.197 -1.038 . . . . 10.0 108.197 176.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.46 ' OD1' ' HE2' ' A' ' 18' ' ' LYS . 2.2 m-80 -93.98 26.68 3.1 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.799 -0.563 . . . . 10.0 112.044 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -23.44 133.63 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 O-C-N 124.784 1.303 . . . . 10.0 111.521 -179.392 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -37.9 110.45 0.13 Allowed 'General case' 0 C--N 1.349 0.552 0 CA-C-O 122.079 0.942 . . . . 10.0 111.314 -177.11 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.416 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 15.5 t70 -137.2 109.85 7.52 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 105.307 -2.108 . . . . 10.0 105.307 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -19.38 65.95 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.218 -0.901 . . . . 10.0 110.744 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -28.51 67.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.485 -1.234 . . . . 10.0 108.997 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.46 ' HE2' ' OD1' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -96.92 149.49 35.79 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 107.528 -1.286 . . . . 10.0 107.528 178.056 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -91.08 75.55 0.71 Allowed 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 121.381 1.387 . . . . 10.0 115.543 -177.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.517 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 2.6 m -146.35 146.32 19.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 CA-C-O 121.469 0.652 . . . . 10.0 111.514 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 p -104.14 168.4 9.13 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 114.637 -1.165 . . . . 10.0 108.764 178.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -115.31 102.21 9.65 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 117.509 2.411 . . . . 10.0 117.509 -177.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.532 ' HB3' ' OP1' ' B' ' 8' ' ' ' DT' . 0.1 OUTLIER -102.06 -173.73 2.41 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 114.613 1.338 . . . . 10.0 114.613 -170.282 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.611 ' HB2' ' H72' ' B' ' 8' ' ' ' DT' . 0.3 OUTLIER -126.57 165.34 19.35 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 104.881 -2.266 . . . . 10.0 104.881 -177.231 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.878 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.5 m-85 -60.86 156.76 44.54 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 119.333 0.969 . . . . 10.0 111.179 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.66 ' HB3' HD13 ' A' ' 72' ' ' LEU . 78.2 Cg_endo -76.41 86.31 1.58 Allowed 'Trans proline' 0 CA--C 1.513 -0.552 0 C-N-CA 122.581 2.187 . . . . 10.0 107.282 176.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 27' ' ' LEU . 16.7 mt -69.88 -37.11 75.93 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 112.798 -2.001 . . . . 10.0 114.723 -174.018 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -93.01 9.14 36.97 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 113.145 -1.843 . . . . 10.0 111.272 -176.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.498 ' HD3' ' CB ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -132.99 56.77 23.72 Favored Pre-proline 0 N--CA 1.439 -1.001 0 N-CA-C 105.995 -1.854 . . . . 10.0 105.995 174.211 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.544 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 9.4 Cg_endo -49.78 -49.27 16.39 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.883 3.056 . . . . 10.0 115.219 -175.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.451 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -54.77 -43.52 72.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 118.484 0.583 . . . . 10.0 109.431 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' CB ' ' HD3' ' A' ' 29' ' ' ARG . 1.3 tm? -70.05 -34.84 73.74 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.943 -1.132 . . . . 10.0 107.943 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.878 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 49.1 t -62.48 -37.04 84.42 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 106.962 -1.496 . . . . 10.0 106.962 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.11 -25.13 66.05 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 113.568 0.951 . . . . 10.0 113.568 -176.626 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -76.68 -21.43 55.4 Favored 'General case' 0 CA--C 1.493 -1.244 0 C-N-CA 116.154 -2.218 . . . . 10.0 108.57 179.463 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.693 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.8 m0 -58.49 -28.07 65.03 Favored 'General case' 0 N--CA 1.438 -1.032 0 N-CA-C 105.762 -1.94 . . . . 10.0 105.762 177.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -54.94 -48.61 72.94 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-O 123.441 1.591 . . . . 10.0 109.573 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.45 -33.66 59.99 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 111.021 -2.809 . . . . 10.0 113.183 179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.42 -15.42 37.8 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.639 -0.424 . . . . 10.0 110.218 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 36' ' ' TRP . 6.8 t -89.91 45.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 106.998 -1.482 . . . . 10.0 106.998 174.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.79 13.99 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 113.42 -1.718 . . . . 10.0 115.058 -178.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.441 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -103.32 139.97 38.03 Favored 'General case' 0 C--N 1.316 -0.882 0 O-C-N 121.562 -0.711 . . . . 10.0 111.893 -179.016 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.614 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER -57.81 -36.28 72.01 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.252 -0.885 . . . . 10.0 109.884 179.511 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.614 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 11.0 p30 -85.47 61.41 6.84 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.614 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 7.7 t80 -56.34 124.44 18.07 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.798 -1.092 . . . . 10.0 110.186 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.689 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -64.1 -172.64 0.07 OUTLIER Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 114.076 -1.42 . . . . 10.0 110.731 179.167 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.771 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 86.6 Cg_exo -46.3 175.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.133 1.889 . . . . 10.0 112.141 178.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.614 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 33.4 p -82.29 -152.78 0.11 Allowed 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 104.373 -2.454 . . . . 10.0 104.373 173.305 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.611 ' HD3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -89.97 -3.63 57.91 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 112.353 -2.203 . . . . 10.0 113.92 -173.858 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.734 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 82.4 m-85 -79.1 -30.03 43.61 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 105.638 -1.986 . . . . 10.0 105.638 174.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.771 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 11.8 p -63.31 173.38 1.56 Allowed 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 120.794 1.634 . . . . 10.0 108.457 173.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.661 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.39 163.32 13.51 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 114.206 -1.361 . . . . 10.0 110.81 -177.751 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.661 HD12 ' C ' ' A' ' 52' ' ' SER . 3.2 mp -133.74 158.15 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 108.586 -0.894 . . . . 10.0 108.586 -176.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.1 p -106.13 159.99 15.66 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.643 1.111 . . . . 10.0 111.888 178.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.517 ' OG ' ' HB ' ' A' ' 20' ' ' VAL . 0.3 OUTLIER -56.13 -36.18 67.96 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 119.114 3.005 . . . . 10.0 119.114 -172.764 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -15.86 3.1 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 114.294 1.22 . . . . 10.0 114.294 -176.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.595 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 91.4 m-70 -86.9 -18.71 30.18 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 114.626 1.343 . . . . 10.0 114.626 -176.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.42 137.0 38.34 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-N 118.644 0.656 . . . . 10.0 111.263 -177.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.7 p -43.19 138.88 2.47 Favored Pre-proline 0 N--CA 1.433 -1.286 0 O-C-N 124.604 1.19 . . . . 10.0 111.358 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.519 ' HA ' ' CG ' ' A' ' 63' ' ' PHE . 8.8 Cg_endo -50.06 -29.28 21.42 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 122.85 2.366 . . . . 10.0 111.961 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.469 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 2.1 m-20 -59.82 -51.46 69.64 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 113.815 -1.539 . . . . 10.0 107.55 174.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.6 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -89.1 6.54 39.41 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 113.935 1.087 . . . . 10.0 113.935 -175.002 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.519 ' CG ' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -40.73 -59.05 1.49 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.753 -1.112 . . . . 10.0 113.795 179.372 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.472 ' HE3' ' OE2' ' A' ' 66' ' ' GLU . 29.2 pttt -173.74 -142.72 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -176.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.472 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -57.12 -12.98 2.49 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.515 0.932 . . . . 10.0 113.515 -178.8 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.472 ' OE2' ' HE3' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -82.95 5.45 21.94 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.209 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.804 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 3.0 t -71.42 -106.16 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.835 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.445 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -98.74 -71.51 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.942 0.401 . . . . 10.0 111.311 -177.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -103.5 -70.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.169 -0.468 . . . . 10.0 111.204 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -145.14 1.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.386 0.513 . . . . 10.0 112.386 -177.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.835 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -140.8 -165.51 1.96 Allowed 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 118.493 -0.765 . . . . 10.0 110.163 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.835 HD12 HD13 ' A' ' 71' ' ' LEU . 3.2 mp -62.47 -172.01 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 123.063 1.411 . . . . 10.0 110.637 -175.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.637 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 5.1 mmmm -87.92 101.98 14.26 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 102.795 -3.039 . . . . 10.0 102.795 170.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.494 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -48.23 -7.42 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 116.308 1.966 . . . . 10.0 116.308 -178.136 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -109.56 16.38 22.25 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-O 121.012 0.434 . . . . 10.0 110.973 175.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.448 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -137.63 147.47 44.99 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 123.218 1.485 . . . . 10.0 110.171 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.565 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -148.79 151.22 34.82 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 111.364 -2.653 . . . . 10.0 108.549 -177.449 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.595 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 2.8 Cg_endo -49.17 123.06 9.45 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.84 2.36 . . . . 10.0 107.258 176.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -124.71 -9.47 7.31 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 113.626 -1.625 . . . . 10.0 108.805 176.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.43 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -91.54 6.81 5.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.673 -175.719 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.615 ' HE2' HG22 ' A' ' 40' ' ' VAL . 2.2 m-30 -39.72 -46.13 1.83 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.943 1.09 . . . . 10.0 113.943 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.92 170.29 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 -179.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -77.67 -74.31 0.26 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.429 -0.952 . . . . 10.0 108.429 178.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -140.57 -63.22 0.48 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.313 178.662 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.48 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.7 p -159.83 133.69 5.07 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.518 -0.31 . . . . 10.0 110.69 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 7.9 Cg_exo -68.7 169.8 16.68 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.906 2.404 . . . . 10.0 111.177 178.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.774 0 CA-C-O 118.061 -0.971 . . . . 10.0 109.987 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.867 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 O4'-C4'-C3' 104.887 -0.713 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.867 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-N19 108.739 1.174 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.857 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.059 0 O4'-C1'-N19 109.371 1.964 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.857 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 O4'-C1'-N19 108.649 1.061 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.759 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O3'-P-O5' 102.237 -0.928 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.759 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O4'-C1'-N19 108.708 1.135 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.991 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.6 0 O4'-C1'-N19 109.07 1.587 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.991 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 N19-C1'-C2' 116.516 1.448 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.476 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.267 0 O4'-C1'-N19 109.255 1.819 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.575 H2'' HG21 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.421 -1.211 0 O4'-C1'-N19 109.285 1.857 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.434 ' OP2' HG21 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 O3'-P-O5' 100.791 -1.689 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.457 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.422 -1.099 0 C2'-C3'-O3' 113.804 1.187 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.494 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O4'-C1'-C2' 107.192 0.993 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.847 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.677 0 O4'-C1'-N19 108.54 0.925 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.163 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.029 0 O4'-C1'-N19 109.871 2.589 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.163 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.451 2.366 2 N19-C1'-C2' 104.094 -6.316 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.705 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-N19 108.974 1.467 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.76 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 O4'-C1'-N19 109.091 1.614 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.847 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.633 0 O4'-C1'-C2' 107.202 1.002 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.847 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 N19-C1'-C2' 115.978 1.111 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.468 ' C8 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C1'-C2' 107.099 0.908 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.728 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.418 -1.367 0 O4'-C1'-N19 109.318 1.897 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.734 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 O3'-P-O5' 101.073 -1.541 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O4'-C1'-N19 108.913 1.392 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . 0.492 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.046 0 O4'-C1'-N19 108.727 1.159 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.719 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O3'-P-O5' 100.868 -1.648 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.719 ' C8 ' H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-N19 108.477 0.846 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.69 ' C6 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-N19 108.727 1.159 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.609 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-C2' 107.111 0.919 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.494 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C1'-N19 108.97 1.463 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.534 H2'' ' C6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.713 0 O4'-C1'-C2' 107.042 0.856 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.534 ' C6 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.029 0 O4'-C1'-C2' 106.956 0.779 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.435 ' SD ' ' H72' ' C' ' 20' ' ' ' DT' . 19.8 ptp . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.534 ' CG1' ' HB2' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -82.64 -11.39 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 N-CA-C 110.153 -0.314 . . . . 10.0 110.153 178.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.437 ' NE2' ' H73' ' C' ' 20' ' ' ' DT' . 23.5 mt-30 -47.77 -58.69 4.02 Favored 'General case' 0 C--O 1.236 0.385 0 O-C-N 124.006 0.816 . . . . 10.0 110.679 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.574 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 3.2 t -179.06 168.35 1.57 Allowed 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 121.229 0.538 . . . . 10.0 111.573 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.77 160.35 28.44 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 107.017 -1.475 . . . . 10.0 107.017 -176.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.628 ' HA ' ' HB3' ' A' ' 46' ' ' LYS . 1.5 m -69.22 3.71 2.04 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 113.252 -1.795 . . . . 10.0 113.147 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' A' ' 81' ' ' PHE . . . -59.09 -146.23 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 121.742 0.782 . . . . 10.0 110.364 176.235 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.445 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 10.9 p90 -135.68 68.99 1.44 Allowed 'General case' 0 C--N 1.31 -1.147 0 O-C-N 120.649 -1.282 . . . . 10.0 108.375 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.48 6.49 8.02 Favored Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 118.57 -1.776 . . . . 10.0 115.144 178.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.5 t -91.21 73.33 6.25 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 113.374 0.879 . . . . 10.0 113.374 -177.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.574 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 8.5 mmmt -73.53 65.82 0.96 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.606 -1.257 . . . . 10.0 107.606 176.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.09 35.04 0.85 Allowed 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.719 -0.613 . . . . 10.0 111.851 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -24.81 135.7 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 O-C-N 124.929 1.393 . . . . 10.0 112.404 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.591 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -40.2 112.09 0.25 Allowed 'General case' 0 N--CA 1.478 0.96 0 CA-C-O 121.754 0.787 . . . . 10.0 110.842 -178.268 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.517 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 15.4 t0 -133.57 106.2 7.29 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 107.25 -1.389 . . . . 10.0 107.25 177.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -59.16 -15.4 14.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.843 0.83 . . . . 10.0 111.013 179.862 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.402 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 11.1 m-20 -76.92 -24.19 52.45 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.557 -1.201 . . . . 10.0 109.35 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -101.99 150.31 37.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 107.502 -1.296 . . . . 10.0 107.502 179.216 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -90.73 74.06 0.95 Allowed 'Trans proline' 0 N--CA 1.46 -0.5 0 N-CA-C 115.898 1.461 . . . . 10.0 115.898 -178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.514 HG13 ' HG3' ' A' ' 18' ' ' LYS . 0.9 OUTLIER -146.39 149.24 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-O 121.242 0.544 . . . . 10.0 112.162 176.806 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.461 ' H ' ' HG ' ' A' ' 55' ' ' SER . 2.5 p -111.66 169.3 8.92 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 108.168 -1.049 . . . . 10.0 108.168 177.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.591 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -113.7 103.76 11.55 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 117.503 2.409 . . . . 10.0 117.503 -176.143 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.566 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -107.76 159.2 16.67 Favored 'General case' 0 C--O 1.199 -1.598 0 N-CA-C 114.645 1.35 . . . . 10.0 114.645 -171.503 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.736 ' HG3' ' H72' ' B' ' 8' ' ' ' DT' . 12.2 mtmm -95.01 165.48 12.41 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 118.289 -1.364 . . . . 10.0 111.266 178.004 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.92 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 2.2 m-85 -58.24 157.98 15.49 Favored Pre-proline 0 N--CA 1.469 0.496 0 CA-C-N 118.812 0.733 . . . . 10.0 111.254 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.587 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 98.5 Cg_endo -74.51 85.6 1.43 Allowed 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.887 2.391 . . . . 10.0 107.56 176.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -70.29 -34.83 73.23 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 112.351 -2.204 . . . . 10.0 114.999 -173.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 p -93.65 8.78 39.59 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 113.521 -1.672 . . . . 10.0 111.745 -176.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.51 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 3.8 ttm105 -135.03 63.22 56.54 Favored Pre-proline 0 N--CA 1.445 -0.715 0 N-CA-C 106.059 -1.83 . . . . 10.0 106.059 173.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.43 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.5 Cg_endo -50.19 -50.75 12.55 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.512 2.808 . . . . 10.0 114.324 -175.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -48.17 51.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.416 0.627 . . . . 10.0 109.346 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.51 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 2.2 tm? -69.17 -34.6 75.21 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.92 -1.036 . . . . 10.0 109.101 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.92 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 17.0 t -62.39 -36.75 83.27 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 107.893 -1.151 . . . . 10.0 107.893 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -68.89 -24.75 64.36 Favored 'General case' 0 N--CA 1.424 -1.742 0 N-CA-C 113.442 0.905 . . . . 10.0 113.442 -175.837 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.478 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -74.96 -24.62 58.49 Favored 'General case' 0 CA--C 1.494 -1.18 0 C-N-CA 115.557 -2.457 . . . . 10.0 108.873 178.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.72 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.0 m0 -57.64 -29.71 64.79 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 105.281 -2.118 . . . . 10.0 105.281 177.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -53.99 -50.72 65.93 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 124.115 1.912 . . . . 10.0 110.085 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.85 -33.95 62.36 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 109.944 -3.298 . . . . 10.0 112.522 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.29 -13.9 42.39 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 120.174 -0.61 . . . . 10.0 110.829 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.862 HG22 ' HE2' ' A' ' 81' ' ' PHE . 9.9 t -92.75 33.33 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-O 122.028 0.918 . . . . 10.0 108.527 173.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.05 13.6 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.523 1.675 . . . . 10.0 115.523 -176.56 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.24 157.44 25.19 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 121.549 -0.719 . . . . 10.0 110.939 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -57.08 -51.51 68.99 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.307 0.575 . . . . 10.0 110.239 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.17 64.89 8.82 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.605 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.638 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 1.1 t80 -52.46 118.69 3.76 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 177.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.638 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 1.2 tttp -63.02 -170.93 0.04 OUTLIER Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.503 1.121 . . . . 10.0 110.949 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.553 ' HA ' ' OP2' ' C' ' 21' ' ' ' DG' . 51.3 Cg_exo -43.67 175.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 123.019 2.479 . . . . 10.0 114.309 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.674 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 37.5 p -84.81 -153.62 0.16 Allowed 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 102.773 -3.047 . . . . 10.0 102.773 172.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.542 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.28 -4.28 57.25 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 111.222 -2.717 . . . . 10.0 113.983 -173.293 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.729 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 90.8 m-85 -80.1 -29.04 38.98 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 105.578 -2.008 . . . . 10.0 105.578 174.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.546 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 0.9 OUTLIER -65.25 171.24 3.94 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 120.477 1.489 . . . . 10.0 108.843 174.003 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.481 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.77 161.18 15.67 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.016 -0.993 . . . . 10.0 109.802 -178.213 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.732 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.2 mp -129.02 156.58 41.73 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 CA-C-N 113.956 -1.475 . . . . 10.0 108.627 -175.04 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.407 ' HB2' HG21 ' A' ' 20' ' ' VAL . 12.9 p -105.26 154.42 20.27 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.742 0.782 . . . . 10.0 110.279 178.006 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.461 ' HG ' ' H ' ' A' ' 21' ' ' SER . 0.0 OUTLIER -55.38 -35.35 65.19 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 119.228 3.047 . . . . 10.0 119.228 -172.034 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -15.61 3.72 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 113.767 1.025 . . . . 10.0 113.767 -177.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.484 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 89.3 m-70 -80.79 -18.7 46.75 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 114.214 1.19 . . . . 10.0 114.214 -177.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.438 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -138.19 133.55 33.41 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 -178.628 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.3 p -39.48 140.01 0.82 Allowed Pre-proline 0 CA--C 1.499 -0.986 0 O-C-N 124.969 1.418 . . . . 10.0 110.86 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -51.23 -29.9 31.09 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.514 2.143 . . . . 10.0 111.971 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.425 ' OD2' ' HB ' ' A' ' 59' ' ' THR . 0.9 OUTLIER -61.39 -49.44 76.91 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 105.451 -2.055 . . . . 10.0 105.451 174.108 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.824 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 4.1 m -82.68 6.37 18.14 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 115.607 1.706 . . . . 10.0 115.607 -173.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -44.87 -76.07 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 114.291 -1.322 . . . . 10.0 114.417 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.591 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 5.0 pttp -166.92 -141.5 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.261 1.208 . . . . 10.0 114.261 -176.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.592 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 0.7 OUTLIER -50.29 -18.86 0.68 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.081 1.352 . . . . 10.0 114.186 -177.889 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -77.35 5.93 7.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.068 0.461 . . . . 10.0 109.794 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.819 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 13.7 t -66.37 -111.91 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.331 -0.85 . . . . 10.0 112.222 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -100.46 -67.58 0.85 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.941 0.348 . . . . 10.0 111.941 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.421 ' CG ' ' N ' ' A' ' 70' ' ' LYS . 1.4 p-10 -103.4 -66.35 0.95 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 120.473 -0.491 . . . . 10.0 112.279 -179.092 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.421 ' N ' ' CG ' ' A' ' 69' ' ' ASN . 26.3 mmtm -147.95 -2.41 0.54 Allowed 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 113.864 1.061 . . . . 10.0 113.864 -177.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.819 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -140.87 -159.21 0.93 Allowed 'General case' 0 C--O 1.207 -1.184 0 C-N-CA 120.094 -0.643 . . . . 10.0 111.215 -177.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.784 HD12 HD13 ' A' ' 71' ' ' LEU . 1.2 mp -70.61 -167.49 0.19 Allowed 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 123.431 1.586 . . . . 10.0 110.302 -177.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.824 ' CD ' ' HA ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -90.13 102.84 15.55 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 111.68 -2.509 . . . . 10.0 105.212 172.286 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.485 ' HB2' ' NE ' ' A' ' 29' ' ' ARG . 4.4 tt0 -47.08 -10.14 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 115.903 1.816 . . . . 10.0 115.903 -179.172 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -109.46 18.74 20.06 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.567 -0.742 . . . . 10.0 111.859 175.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.406 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -141.58 148.35 39.13 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 123.82 1.771 . . . . 10.0 110.845 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.452 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -152.8 150.04 23.56 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 110.075 -3.239 . . . . 10.0 108.96 -176.617 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.559 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 0.9 OUTLIER -44.92 124.74 6.03 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.904 3.069 . . . . 10.0 108.764 176.809 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 77' ' ' VAL . 30.6 p -124.73 -11.78 7.19 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 113.754 -1.566 . . . . 10.0 110.067 177.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.471 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 1.7 mm -90.46 9.15 3.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 115.579 -0.737 . . . . 10.0 112.363 -174.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.862 ' HE2' HG22 ' A' ' 40' ' ' VAL . 3.1 m-30 -38.89 -40.87 0.69 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.376 1.251 . . . . 10.0 114.376 -177.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.445 ' HB2' ' CE1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -167.9 173.22 8.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.821 0.343 . . . . 10.0 110.576 179.444 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -67.49 -31.5 71.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.884 0.85 . . . . 10.0 111.392 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.99 -33.96 76.52 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.239 -1.346 . . . . 10.0 112.395 -178.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.1 m -88.69 116.13 65.39 Favored Pre-proline 0 C--O 1.235 0.341 0 C-N-CA 120.251 -0.58 . . . . 10.0 111.98 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.17 148.63 85.31 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 123.011 2.474 . . . . 10.0 111.339 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.9 ptt-85 . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.204 -0.903 . . . . 10.0 110.343 -179.044 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.864 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.574 0 O4'-C4'-C3' 104.863 -0.737 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.864 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 O4'-C1'-N19 108.633 1.041 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.878 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.992 0 O4'-C1'-N19 109.222 1.777 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.878 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O3'-P-O5' 101.887 -1.112 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.711 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-C2' 106.972 0.793 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.711 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-N19 108.959 1.449 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 1.012 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.684 0 O4'-C1'-N19 109.613 2.266 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 1.012 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C5'-C4'-C3' 112.881 -1.213 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.479 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.24 0 O4'-C1'-N19 109.549 2.187 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.508 " H2'" ' CG2' ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.418 -1.401 0 O4'-C1'-N19 109.361 1.951 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.687 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O3'-P-O5' 100.886 -1.639 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.687 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C2'-C3'-O3' 113.346 1.017 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.572 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 C2'-C3'-O3' 112.969 0.878 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.981 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 O4'-C1'-C2' 106.971 0.792 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.075 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.443 0.932 0 O4'-C1'-N19 109.781 2.476 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.075 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.452 2.436 2 N19-C1'-C2' 104.317 -6.177 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.58 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C1'-N19 109.117 1.646 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.766 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.675 0 O4'-C1'-N19 108.646 1.058 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.795 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 O4'-C1'-C2' 107.108 0.916 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.795 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.099 0 O4'-C1'-C2' 107.282 1.075 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.553 ' OP2' ' HA ' ' A' ' 47' ' ' PRO . . . . . . . . 0 O5'--C5' 1.424 -1.006 0 O4'-C1'-C2' 107.155 0.959 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.674 ' OP2' HG21 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.417 -1.425 0 O4'-C1'-N19 109.308 1.885 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.729 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-N19 109.18 1.725 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-N19 109.204 1.755 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . 0.421 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.955 0 O4'-C4'-C3' 104.481 -1.119 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.421 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-N19 109.013 1.516 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.717 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 106.977 0.798 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.717 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-N19 108.839 1.299 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.575 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-N19 108.653 1.066 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.529 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C4'-C3' 104.681 -0.919 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.563 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 O4'-C1'-C2' 107.071 0.882 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.563 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-C2' 107.006 0.824 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.567 ' SD ' ' HB2' ' A' ' 3' ' ' GLN . 3.3 ptp . . . . . 0 N--CA 1.484 1.235 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.771 HG21 H2'' ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -69.85 -45.35 77.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 O-C-N 123.174 0.296 . . . . 10.0 110.563 179.682 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.567 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 5.0 mt-30 -51.15 -50.01 59.77 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 123.99 0.806 . . . . 10.0 108.847 179.367 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.582 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -177.51 168.68 2.22 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.206 -0.906 . . . . 10.0 110.921 178.746 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.8 m -78.57 175.44 10.36 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 123.052 1.406 . . . . 10.0 107.923 -177.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.578 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 33.0 t -81.36 -3.83 53.88 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 111.685 -2.507 . . . . 10.0 111.461 -178.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.48 -148.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.825 0.821 . . . . 10.0 112.839 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.408 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -114.71 68.78 0.7 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 -179.43 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.91 36.52 7.71 Favored Glycine 0 N--CA 1.435 -1.416 0 C-N-CA 119.834 -1.174 . . . . 10.0 114.988 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.429 ' O ' ' SG ' ' A' ' 10' ' ' CYS . 4.5 t -90.04 75.52 7.11 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.591 0.71 . . . . 10.0 112.349 -178.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.582 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 17.4 mttt -72.93 60.73 0.54 Allowed 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 177.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.44 ' OD1' ' HE2' ' A' ' 18' ' ' LYS . 1.1 m-80 -90.31 30.39 1.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.706 -0.621 . . . . 10.0 111.163 -179.316 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -27.14 135.91 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 O-C-N 124.963 1.414 . . . . 10.0 111.174 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -43.28 111.01 0.23 Allowed 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 122.269 1.033 . . . . 10.0 111.65 -176.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.639 ' OD2' ' HB2' ' A' ' 17' ' ' ASP . 24.8 t70 -134.66 112.08 10.51 Favored 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 104.955 -2.239 . . . . 10.0 104.955 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -17.1 62.05 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.704 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.639 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . 2.8 m-20 -72.46 -25.93 61.63 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.361 -1.29 . . . . 10.0 109.566 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -98.14 145.64 30.15 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 108.267 -1.012 . . . . 10.0 108.267 178.868 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -89.07 75.75 1.44 Allowed 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 121.868 1.712 . . . . 10.0 116.299 -177.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.449 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 1.7 m -147.97 148.24 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-O 121.611 0.72 . . . . 10.0 111.388 177.288 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.0 p -105.7 168.61 8.99 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 115.016 -0.993 . . . . 10.0 108.839 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.42 102.16 9.57 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 118.231 2.678 . . . . 10.0 118.231 -177.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.592 ' CD2' ' H ' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -99.76 -174.27 2.66 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.764 -1.21 . . . . 10.0 114.201 -170.053 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.531 ' HD3' ' H72' ' B' ' 8' ' ' ' DT' . 2.9 mtpt -127.96 165.56 20.02 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 105.347 -2.094 . . . . 10.0 105.347 -177.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.971 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.6 m-85 -60.0 152.31 61.16 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 119.258 0.935 . . . . 10.0 111.062 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.566 ' HB3' HD13 ' A' ' 72' ' ' LEU . 74.1 Cg_endo -76.66 67.08 7.35 Favored 'Trans proline' 0 CA--C 1.516 -0.381 0 C-N-CA 122.949 2.433 . . . . 10.0 108.326 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.624 HD21 ' HG3' ' A' ' 49' ' ' LYS . 7.7 mt -49.66 -36.78 25.96 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-O 124.515 2.102 . . . . 10.0 114.817 -177.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.0 p -88.07 -1.93 58.3 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 109.49 -3.505 . . . . 10.0 113.48 -176.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.57 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -128.18 61.51 53.22 Favored Pre-proline 0 N--CA 1.442 -0.844 0 N-CA-C 105.506 -2.035 . . . . 10.0 105.506 174.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.493 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 8.4 Cg_endo -48.71 -56.41 3.18 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 124.225 3.283 . . . . 10.0 116.504 -174.044 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.84 -40.07 69.23 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.593 HD21 ' O ' ' A' ' 76' ' ' ALA . 1.2 tm? -71.86 -33.86 68.76 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.738 -1.208 . . . . 10.0 107.738 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.971 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 18.6 t -64.61 -37.13 86.53 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 106.965 -1.494 . . . . 10.0 106.965 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -68.68 -24.0 64.45 Favored 'General case' 0 N--CA 1.417 -2.079 0 N-CA-C 113.413 0.894 . . . . 10.0 113.413 -175.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.449 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.2 pt-20 -77.29 -18.21 57.73 Favored 'General case' 0 CA--C 1.495 -1.16 0 C-N-CA 116.535 -2.066 . . . . 10.0 109.029 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.689 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.9 m0 -61.59 -28.4 69.33 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 106.284 -1.747 . . . . 10.0 106.284 177.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -57.7 -39.99 78.46 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-O 124.006 1.86 . . . . 10.0 111.409 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.57 -29.33 66.86 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 109.727 -3.397 . . . . 10.0 109.758 -174.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.6 -14.15 38.24 Favored 'General case' 0 C--N 1.306 -1.299 0 C-N-CA 120.216 -0.594 . . . . 10.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 36' ' ' TRP . 8.8 t -93.82 36.14 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-O 122.105 0.955 . . . . 10.0 108.829 174.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.38 13.31 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 116.644 2.09 . . . . 10.0 116.644 -178.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -94.07 147.46 23.12 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 119.089 0.859 . . . . 10.0 111.403 -179.613 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.3 tttt -53.56 -46.98 70.46 Favored 'General case' 0 CA--C 1.508 -0.668 0 O-C-N 123.755 0.659 . . . . 10.0 111.268 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.66 66.31 9.5 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 115.007 -0.997 . . . . 10.0 110.16 -179.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.549 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 5.4 t80 -55.17 118.39 4.32 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.298 -0.865 . . . . 10.0 109.173 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.578 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -57.51 -172.58 0.03 OUTLIER Pre-proline 0 CA--C 1.551 1.001 0 CA-C-N 114.576 -1.193 . . . . 10.0 111.311 178.814 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.782 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 84.2 Cg_exo -44.74 175.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 C-N-CA 122.237 1.958 . . . . 10.0 112.931 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.659 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 34.2 p -81.88 -155.79 0.14 Allowed 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 103.745 -2.687 . . . . 10.0 103.745 173.358 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.624 ' HG3' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -89.33 -2.85 58.59 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 111.589 -2.55 . . . . 10.0 113.619 -173.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.686 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 84.6 m-85 -78.67 -31.11 46.56 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 105.12 -2.178 . . . . 10.0 105.12 174.065 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.782 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 10.2 p -62.52 173.24 1.29 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 121.205 1.821 . . . . 10.0 109.052 175.301 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.572 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.77 162.38 14.52 Favored 'General case' 0 N--CA 1.429 -1.509 0 CA-C-N 114.189 -1.369 . . . . 10.0 110.829 -177.527 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.572 HD12 ' C ' ' A' ' 52' ' ' SER . 3.4 mp -131.48 156.51 42.7 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.658 0 CA-C-N 115.066 -0.97 . . . . 10.0 108.534 -175.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.2 p -105.94 161.69 14.24 Favored 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 119.641 1.11 . . . . 10.0 112.23 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.517 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 1.3 p -59.45 -34.96 73.17 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 119.278 3.066 . . . . 10.0 119.278 -171.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -14.58 3.58 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 114.366 1.247 . . . . 10.0 114.366 -176.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.596 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 90.8 m-70 -87.27 -15.84 36.93 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 115.099 1.518 . . . . 10.0 115.099 -176.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.55 ' HZ ' ' CD2' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -138.16 141.28 40.09 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 119.795 -0.762 . . . . 10.0 111.176 -177.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.428 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 1.9 p -45.64 137.42 5.61 Favored Pre-proline 0 N--CA 1.423 -1.777 0 CA-C-N 114.271 -1.331 . . . . 10.0 110.12 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.524 ' HA ' ' CD1' ' A' ' 63' ' ' PHE . 8.0 Cg_endo -48.83 -30.1 16.46 Favored 'Trans proline' 0 C--N 1.318 -1.035 0 C-N-CA 123.481 2.787 . . . . 10.0 112.33 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.638 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 7.0 m-20 -62.35 -46.65 87.74 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 113.443 -1.708 . . . . 10.0 108.049 176.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.589 ' OG ' ' HG2' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -91.92 7.08 43.72 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 113.761 1.023 . . . . 10.0 113.761 -175.692 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.524 ' CD1' ' HA ' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -40.48 -58.98 1.44 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.42 -1.264 . . . . 10.0 113.276 179.021 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.495 ' HD2' ' OP1' ' B' ' 8' ' ' ' DT' . 10.2 pttp -174.11 -136.54 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 112.919 0.711 . . . . 10.0 112.919 -178.344 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -62.95 -16.86 60.94 Favored 'General case' 0 C--N 1.342 0.274 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -177.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.404 ' OE1' ' HG3' ' A' ' 64' ' ' LYS . 2.2 mp0 -83.35 7.23 17.25 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.918 0.389 . . . . 10.0 110.254 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.799 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 1.8 t -67.76 -103.87 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.694 -0.685 . . . . 10.0 111.625 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.445 ' N ' ' OG ' ' A' ' 67' ' ' SER . 5.1 t-20 -99.37 -71.57 0.69 Allowed 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 120.884 0.373 . . . . 10.0 110.757 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -100.89 -70.98 0.72 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.67 -0.696 . . . . 10.0 112.107 -178.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.64 2.66 0.95 Allowed 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 112.56 0.578 . . . . 10.0 112.56 -178.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.799 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -144.86 -164.84 2.01 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.944 -0.762 . . . . 10.0 108.944 179.359 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.791 HD12 HD13 ' A' ' 71' ' ' LEU . 4.0 mp -63.18 -172.27 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 123.488 1.613 . . . . 10.0 109.744 -176.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.742 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -90.64 103.87 16.52 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 104.413 -2.44 . . . . 10.0 104.413 170.477 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.57 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -51.44 -4.26 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 115.622 1.712 . . . . 10.0 115.622 -179.004 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.423 ' H ' ' C ' ' A' ' 73' ' ' LYS . 1.6 m-20 -108.95 18.17 20.96 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.216 -0.902 . . . . 10.0 110.534 175.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.593 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -144.36 150.64 38.1 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 122.902 1.334 . . . . 10.0 109.936 -179.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 79' ' ' THR . 0.1 OUTLIER -152.45 151.15 26.64 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 111.933 -2.394 . . . . 10.0 109.464 -177.447 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.607 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 2.2 Cg_endo -46.43 120.41 3.81 Favored 'Trans proline' 0 C--N 1.362 1.281 0 C-N-CA 123.505 2.803 . . . . 10.0 105.764 176.099 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 77' ' ' VAL . 21.9 p -123.65 -10.6 7.83 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 113.609 -1.632 . . . . 10.0 110.162 177.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.43 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 1.0 OUTLIER -91.38 4.9 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.674 -0.693 . . . . 10.0 110.97 -176.711 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.444 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.6 m-30 -38.39 -49.26 1.43 Allowed 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 113.779 1.029 . . . . 10.0 113.779 -177.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.464 HD11 ' HG3' ' A' ' 86' ' ' PRO . 0.0 OUTLIER -174.63 159.45 2.9 Favored 'General case' 0 CA--C 1.513 -0.445 0 O-C-N 123.273 0.358 . . . . 10.0 110.227 -179.347 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -80.2 -76.98 0.2 Allowed 'General case' 0 C--O 1.235 0.29 0 O-C-N 124.085 0.866 . . . . 10.0 110.442 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.77 -78.58 0.59 Allowed 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.463 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 p -152.51 132.32 7.15 Favored Pre-proline 0 CA--C 1.53 0.178 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.464 ' HG3' HD11 ' A' ' 82' ' ' LEU . 16.0 Cg_exo -65.77 -179.59 1.36 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.688 2.259 . . . . 10.0 112.143 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.316 -0.863 0 CA-C-O 117.597 -1.192 . . . . 10.0 109.785 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.889 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-N19 108.594 0.993 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.889 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O4'-C1'-N19 108.645 1.056 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.886 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.422 -1.139 0 O4'-C1'-N19 109.264 1.83 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.886 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.422 -1.106 0 O4'-C4'-C3' 104.614 -0.986 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.777 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.058 0 O4'-C1'-C2' 106.94 0.764 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.777 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-N19 108.459 0.823 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.961 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 O4'-C1'-N19 108.978 1.473 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.961 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 N19-C1'-C2' 116.885 1.678 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.504 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.399 0 O4'-C1'-N19 108.951 1.439 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.771 H2'' HG21 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.421 -1.213 0 N19-C1'-C2' 117.111 1.819 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.403 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.14 0 O3'-P-O5' 100.593 -1.793 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.477 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.087 0 C2'-C3'-O3' 114.161 1.319 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.564 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 O4'-C1'-C2' 107.262 1.057 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.938 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 O4'-C4'-C3' 104.748 -0.852 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.044 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.024 0 O4'-C1'-N19 109.669 2.336 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.044 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.452 2.447 2 N19-C1'-C2' 104.521 -6.049 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.727 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.511 -0.686 0 O4'-C1'-N19 108.775 1.219 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.801 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.074 0 O4'-C1'-N19 108.878 1.348 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.882 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 O4'-C1'-C2' 107.218 1.017 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.882 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 O4'-C1'-C2' 107.126 0.932 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.434 ' OP2' ' HA ' ' A' ' 47' ' ' PRO . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C4'-C3' 104.802 -0.798 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.659 ' OP2' HG21 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.42 -1.26 0 O5'-P-OP2 105.045 -1.206 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.686 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.429 -0.679 0 O4'-C1'-N19 109.261 1.826 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C1'-N19 108.797 1.247 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C4'-C3' 104.467 -1.133 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.522 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 O3'-P-O5' 101.575 -1.276 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.799 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 O4'-C4'-C3' 104.753 -0.847 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.799 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 O4'-C1'-C2' 107.259 1.054 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.639 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 O4'-C1'-N19 108.88 1.35 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.495 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 O5'-C5'-C4' 111.893 1.209 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.623 H2'' ' C6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 P--O3' 1.599 -0.63 0 O4'-C1'-N19 108.692 1.115 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.623 ' C6 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-C2' 107.079 0.89 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 . . . . . 0 N--CA 1.448 -0.557 0 N-CA-C 109.4 -0.593 . . . . 10.0 109.4 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.535 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -177.34 165.37 2.23 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.516 0.51 . . . . 10.0 110.335 178.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.413 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 8.0 m -78.89 174.68 11.26 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-O 122.903 1.335 . . . . 10.0 107.723 -176.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.512 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 6.7 t -80.08 -0.62 36.45 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 111.419 -2.628 . . . . 10.0 110.938 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.8 -150.07 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 122.01 0.909 . . . . 10.0 113.14 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -114.25 68.55 0.69 Allowed 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 108.49 -0.93 . . . . 10.0 108.49 -178.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.41 34.48 7.98 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.566 -0.826 . . . . 10.0 114.532 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.473 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 9.1 t -86.31 76.1 9.73 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 4.0 mmtp -74.91 61.75 1.06 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 176.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -93.22 24.92 3.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 118.952 -0.546 . . . . 10.0 111.696 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -24.98 136.6 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 O-C-N 124.561 1.163 . . . . 10.0 111.724 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -36.77 107.01 0.05 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 122.132 0.967 . . . . 10.0 112.686 -176.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.499 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 8.6 t0 -131.75 108.02 9.17 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 105.571 -2.011 . . . . 10.0 105.571 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -18.88 47.44 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.408 -1.269 . . . . 10.0 111.403 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.499 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -73.64 -24.55 60.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.147 -0.933 . . . . 10.0 109.383 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.443 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -102.59 133.41 20.5 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 114.587 -1.188 . . . . 10.0 108.695 179.705 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.81 75.84 4.59 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 121.463 1.442 . . . . 10.0 115.561 -177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.422 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 4.1 m -143.06 144.2 24.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 121.349 0.595 . . . . 10.0 111.912 177.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.55 169.7 8.31 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.01 -0.996 . . . . 10.0 108.89 178.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -118.43 102.38 8.88 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 118.163 2.653 . . . . 10.0 118.163 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.767 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.85 159.81 16.23 Favored 'General case' 0 C--O 1.195 -1.8 0 N-CA-C 115.18 1.548 . . . . 10.0 115.18 -171.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 14.3 mtpt -95.23 165.75 12.24 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.022 -1.071 . . . . 10.0 110.956 177.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.948 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.17 157.47 16.69 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 118.685 0.675 . . . . 10.0 110.625 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.658 ' HB3' HD13 ' A' ' 72' ' ' LEU . 54.8 Cg_endo -78.43 67.51 8.27 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.638 2.225 . . . . 10.0 107.978 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.482 HD21 ' HG3' ' A' ' 49' ' ' LYS . 8.9 mt -48.08 -38.69 18.12 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 112.496 -2.138 . . . . 10.0 115.417 -177.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.7 p -87.42 0.08 56.02 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 109.14 -3.664 . . . . 10.0 113.546 -175.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.544 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.78 61.09 57.4 Favored Pre-proline 0 N--CA 1.448 -0.57 0 N-CA-C 105.782 -1.933 . . . . 10.0 105.782 174.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.44 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 8.5 Cg_endo -49.26 -51.27 10.96 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.705 2.937 . . . . 10.0 115.237 -174.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.74 -48.23 63.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.22 0.533 . . . . 10.0 109.597 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.508 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . 1.5 tm? -71.25 -30.66 66.59 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.808 -0.812 . . . . 10.0 108.808 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.948 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 19.7 t -63.91 -37.25 86.72 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.505 -1.295 . . . . 10.0 107.505 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -25.92 65.19 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-N 114.879 -1.055 . . . . 10.0 113.597 -176.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.447 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.8 OUTLIER -74.74 -22.63 58.7 Favored 'General case' 0 CA--C 1.494 -1.204 0 C-N-CA 115.995 -2.282 . . . . 10.0 108.434 178.789 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.689 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.8 m0 -57.25 -29.52 63.88 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 105.665 -1.976 . . . . 10.0 105.665 178.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -55.23 -49.33 72.26 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 123.73 1.729 . . . . 10.0 110.067 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -55.66 -35.4 65.94 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 110.401 -3.09 . . . . 10.0 112.29 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.7 -15.8 38.44 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 120.117 -0.633 . . . . 10.0 110.413 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 36' ' ' TRP . 25.7 t -91.88 46.03 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 108.164 -1.05 . . . . 10.0 108.164 174.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.24 13.31 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.095 1.146 . . . . 10.0 114.095 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.43 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -72.66 131.8 42.88 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 122.143 -0.348 . . . . 10.0 110.065 179.494 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -52.69 -54.1 38.27 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.418 0.628 . . . . 10.0 110.208 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.14 67.74 10.29 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 108.314 -0.995 . . . . 10.0 108.314 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.642 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 1.8 t80 -44.85 122.2 3.12 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.272 -0.876 . . . . 10.0 110.75 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.642 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -58.94 -171.1 0.03 OUTLIER Pre-proline 0 CA--C 1.544 0.747 0 CA-C-N 113.975 -1.466 . . . . 10.0 110.731 178.049 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.746 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 94.5 Cg_exo -45.43 176.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 122.55 2.167 . . . . 10.0 112.232 178.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.0 p -83.72 -154.47 0.16 Allowed 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 103.651 -2.722 . . . . 10.0 103.651 172.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.59 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.75 -2.19 57.82 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 112.493 -2.14 . . . . 10.0 113.858 -174.088 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -77.84 -31.58 51.66 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 105.268 -2.123 . . . . 10.0 105.268 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.746 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 8.9 p -63.21 173.58 1.44 Allowed 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 120.78 1.627 . . . . 10.0 109.215 174.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.644 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.35 164.13 12.76 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 114.854 -1.066 . . . . 10.0 110.695 -178.322 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.644 HD12 ' C ' ' A' ' 52' ' ' SER . 3.0 mp -132.21 157.01 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 107.593 -1.262 . . . . 10.0 107.593 -176.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.549 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 15.2 p -106.64 153.88 21.74 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 119.805 1.184 . . . . 10.0 111.868 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.767 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 2.7 p -47.17 -40.04 15.06 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 118.634 2.827 . . . . 10.0 118.634 -173.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.524 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -55.13 -16.02 2.71 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 114.665 1.357 . . . . 10.0 114.665 -176.085 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.48 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 94.3 m-70 -84.96 -16.5 40.74 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 114.586 1.328 . . . . 10.0 114.586 -177.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.589 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -125.4 174.16 8.37 Favored 'General case' 0 CA--C 1.499 -1.006 0 C-N-CA 120.256 -0.578 . . . . 10.0 110.17 -179.007 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.505 ' HB ' ' OD1' ' A' ' 61' ' ' ASP . 0.8 OUTLIER -79.87 139.9 54.05 Favored Pre-proline 0 N--CA 1.424 -1.76 0 N-CA-C 108.723 -0.843 . . . . 10.0 108.723 179.025 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.6 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 6.7 Cg_endo -48.7 -33.17 23.8 Favored 'Trans proline' 0 C--N 1.331 -0.389 0 C-N-CA 123.299 2.666 . . . . 10.0 112.191 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.526 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -58.17 -47.2 84.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.222 -1.354 . . . . 10.0 109.427 177.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.566 ' CB ' ' HG2' ' A' ' 73' ' ' LYS . 2.5 t -93.06 4.62 53.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.18 -1.373 . . . . 10.0 114.419 -175.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.6 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -34.47 -55.66 0.53 Allowed 'General case' 0 C--N 1.317 -0.81 0 O-C-N 124.402 1.064 . . . . 10.0 113.87 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.583 ' HG3' ' OE1' ' A' ' 66' ' ' GLU . 15.7 pttp -175.95 -135.39 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.254 0.464 . . . . 10.0 112.254 -178.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.494 ' HG2' ' H ' ' A' ' 65' ' ' ARG . 1.0 OUTLIER -59.73 -14.65 15.26 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -178.321 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.583 ' OE1' ' HG3' ' A' ' 64' ' ' LYS . 24.4 mp0 -84.06 5.55 25.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.916 0.389 . . . . 10.0 110.309 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.808 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 1.7 t -68.72 -103.2 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.96 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.463 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.6 OUTLIER -101.74 -67.91 0.84 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.886 0.374 . . . . 10.0 111.921 -179.115 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -106.26 -70.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -144.32 1.54 1.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.405 0.52 . . . . 10.0 112.405 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.808 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -141.95 -164.96 1.9 Allowed 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 118.417 -0.801 . . . . 10.0 109.626 179.819 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.713 HD12 HD13 ' A' ' 71' ' ' LEU . 3.4 mp -64.54 -174.48 0.13 Allowed 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 122.433 1.111 . . . . 10.0 109.989 -176.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.73 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -88.86 103.87 16.4 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 104.085 -2.561 . . . . 10.0 104.085 171.06 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.544 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -49.28 -5.99 0.02 OUTLIER 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 116.508 2.04 . . . . 10.0 116.508 -177.449 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.8 20.25 18.25 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 121.472 0.653 . . . . 10.0 110.534 175.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -139.88 142.88 36.5 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 123.497 1.618 . . . . 10.0 109.125 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.467 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -149.31 147.46 23.51 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 110.905 -2.861 . . . . 10.0 108.356 -178.107 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.559 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 1.7 Cg_endo -44.23 120.59 2.62 Favored 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 123.885 3.057 . . . . 10.0 108.355 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.41 -11.38 8.34 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 113.662 -1.608 . . . . 10.0 109.281 177.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.471 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.8 OUTLIER -92.49 6.22 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.018 -176.755 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.413 ' HA ' ' ND1' ' A' ' 57' ' ' HIS . 1.4 m-30 -40.7 -50.08 3.08 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.304 0.854 . . . . 10.0 113.304 -178.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 O-C-N 123.541 0.525 . . . . 10.0 110.124 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 . . . . . 0 N--CA 1.447 -0.602 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.535 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 1.3 t -177.78 166.35 2.1 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.708 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.459 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 30.9 m -80.48 177.64 8.86 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 123.356 1.551 . . . . 10.0 108.39 -177.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.628 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 16.9 t -81.82 -3.64 54.47 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 110.873 -2.876 . . . . 10.0 110.582 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.34 -149.74 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.521 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -111.05 68.12 0.66 Allowed 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 -178.184 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.08 34.71 13.97 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.696 -0.684 . . . . 10.0 113.66 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.489 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 2.1 t -82.26 76.71 9.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.467 0.633 . . . . 10.0 112.504 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 18.0 mmtt -73.14 59.46 0.54 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 176.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.402 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 1.3 m-80 -93.57 30.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.383 -0.823 . . . . 10.0 112.097 -178.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -22.66 134.56 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.374 0 O-C-N 124.902 1.376 . . . . 10.0 111.631 179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.498 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -42.03 113.57 0.45 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-O 121.763 0.792 . . . . 10.0 110.199 -178.332 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.413 ' OD2' ' HB2' ' A' ' 17' ' ' ASP . 25.6 t70 -140.34 107.15 5.38 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 106.096 -1.816 . . . . 10.0 106.096 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -20.3 56.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.64 0.733 . . . . 10.0 111.084 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.413 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -69.9 -22.36 63.23 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.56 -1.2 . . . . 10.0 109.11 179.458 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -101.02 146.16 31.66 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 107.304 -1.369 . . . . 10.0 107.304 177.593 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -88.35 75.48 1.84 Allowed 'Trans proline' 0 N--CA 1.462 -0.335 0 N-CA-C 115.62 1.354 . . . . 10.0 115.62 -177.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.533 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 2.4 m -147.78 149.09 15.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-O 121.528 0.68 . . . . 10.0 112.027 177.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.08 169.36 8.67 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 108.174 -1.047 . . . . 10.0 108.174 177.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.498 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -117.79 102.08 8.83 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 117.789 2.514 . . . . 10.0 117.789 -176.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.706 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -106.83 161.15 14.95 Favored 'General case' 0 C--O 1.195 -1.794 0 N-CA-C 115.069 1.507 . . . . 10.0 115.069 -171.11 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 34.2 mtpt -95.91 165.28 12.35 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 119.252 -0.979 . . . . 10.0 111.933 178.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.845 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -57.4 158.9 9.74 Favored Pre-proline 0 N--CA 1.47 0.563 0 CA-C-N 118.522 0.601 . . . . 10.0 111.345 179.569 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.689 ' HB3' HD13 ' A' ' 72' ' ' LEU . 57.4 Cg_endo -79.45 67.66 8.53 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.691 2.261 . . . . 10.0 108.617 177.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.538 HD21 ' HG3' ' A' ' 49' ' ' LYS . 12.3 mt -49.53 -38.31 30.21 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 112.623 -2.081 . . . . 10.0 115.361 -177.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.2 p -88.63 1.71 54.53 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 109.594 -3.457 . . . . 10.0 113.107 -175.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.539 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.28 59.22 43.92 Favored Pre-proline 0 N--CA 1.445 -0.724 0 N-CA-C 106.156 -1.794 . . . . 10.0 106.156 175.202 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.576 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.6 Cg_endo -47.68 -55.45 3.96 Favored 'Trans proline' 0 C--O 1.216 -0.584 0 C-N-CA 123.854 3.036 . . . . 10.0 115.974 -174.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.8 OUTLIER -53.09 -44.19 67.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.478 0.656 . . . . 10.0 109.776 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.48 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.5 tm? -69.9 -33.28 71.99 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.185 -1.043 . . . . 10.0 108.185 179.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.845 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 51.4 t -63.54 -37.03 85.75 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 107.78 -1.193 . . . . 10.0 107.78 179.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -67.39 -26.82 66.63 Favored 'General case' 0 N--CA 1.424 -1.738 0 CA-C-N 114.956 -1.02 . . . . 10.0 113.518 -176.817 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -73.88 -23.18 59.55 Favored 'General case' 0 CA--C 1.492 -1.258 0 C-N-CA 116.154 -2.218 . . . . 10.0 108.731 178.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.669 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.7 m0 -57.78 -29.5 64.9 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 105.99 -1.856 . . . . 10.0 105.99 178.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -55.28 -49.42 72.14 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 123.812 1.768 . . . . 10.0 109.62 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.04 -35.85 62.42 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 110.716 -2.947 . . . . 10.0 112.393 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.65 -16.27 34.89 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.839 -0.745 . . . . 10.0 110.172 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 36' ' ' TRP . 21.4 t -92.43 37.72 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 108.211 -1.033 . . . . 10.0 108.211 174.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.92 12.43 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.873 1.435 . . . . 10.0 114.873 -176.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.463 ' HD3' ' CE1' ' A' ' 8' ' ' TYR . 10.7 tpt180 -71.94 141.06 49.46 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -52.28 -57.25 10.3 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.209 0.528 . . . . 10.0 110.038 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.34 69.07 7.89 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 108.69 -0.855 . . . . 10.0 108.69 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.633 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 5.7 t80 -44.03 126.31 4.84 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.18 -0.918 . . . . 10.0 110.23 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.633 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -62.37 -172.71 0.05 OUTLIER Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 114.648 -1.16 . . . . 10.0 111.472 179.577 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.772 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 86.8 Cg_exo -46.41 176.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 122.453 2.102 . . . . 10.0 112.299 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.422 ' HB ' ' HE3' ' A' ' 49' ' ' LYS . 34.7 p -83.85 -154.2 0.15 Allowed 'General case' 0 CA--C 1.503 -0.846 0 N-CA-C 102.939 -2.986 . . . . 10.0 102.939 172.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -91.52 -3.71 56.24 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 112.357 -2.202 . . . . 10.0 114.129 -174.042 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -77.53 -30.84 53.01 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 105.443 -2.058 . . . . 10.0 105.443 174.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.772 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 8.0 p -64.01 173.31 1.93 Allowed 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 120.441 1.473 . . . . 10.0 109.183 174.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.593 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -111.17 161.52 15.87 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.208 -1.36 . . . . 10.0 110.254 -178.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.593 HD12 ' C ' ' A' ' 52' ' ' SER . 3.2 mp -131.25 158.02 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 N-CA-C 107.43 -1.322 . . . . 10.0 107.43 -176.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.563 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.7 p -107.14 158.23 17.25 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 120.277 1.398 . . . . 10.0 111.338 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.706 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -52.27 -37.35 55.2 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 119.078 2.992 . . . . 10.0 119.078 -172.812 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.526 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -53.57 -16.03 1.38 Allowed 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 114.43 1.27 . . . . 10.0 114.43 -176.802 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.575 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 92.0 m-70 -87.45 -16.55 34.5 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 114.893 1.442 . . . . 10.0 114.893 -176.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.548 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -138.01 137.76 38.19 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.673 0.67 . . . . 10.0 111.859 -177.636 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 p -43.86 138.33 3.21 Favored Pre-proline 0 N--CA 1.432 -1.366 0 CA-C-N 114.207 -1.361 . . . . 10.0 111.055 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.532 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 8.7 Cg_endo -49.49 -29.13 17.71 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.161 2.574 . . . . 10.0 112.509 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.455 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 9.0 m-20 -61.41 -48.56 80.64 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 113.717 -1.583 . . . . 10.0 107.503 175.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.614 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -91.51 6.68 44.65 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 113.786 1.032 . . . . 10.0 113.786 -174.671 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.532 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -39.15 -57.85 1.25 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 114.223 1.194 . . . . 10.0 114.223 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 67' ' ' SER . 13.9 pttt -175.86 -140.51 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 117.881 0.309 . . . . 10.0 111.534 -177.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.27 -12.08 12.06 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.354 0.501 . . . . 10.0 112.354 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.98 6.27 25.8 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.6 -0.519 . . . . 10.0 109.6 178.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.733 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 1.4 t -70.7 -108.35 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.176 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.481 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -102.65 -63.36 1.17 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -178.791 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -102.51 -73.67 0.65 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -178.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -147.25 1.39 0.73 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.746 0.308 . . . . 10.0 111.478 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.795 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -143.95 -164.43 1.88 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 118.568 -0.729 . . . . 10.0 109.131 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.795 HD12 HD13 ' A' ' 71' ' ' LEU . 3.1 mp -64.07 -172.56 0.07 Allowed 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 122.748 1.261 . . . . 10.0 110.045 -176.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.619 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 3.1 mmmm -88.57 105.25 17.52 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 103.703 -2.703 . . . . 10.0 103.703 170.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.539 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 11.2 pm0 -50.39 -5.17 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 115.747 1.758 . . . . 10.0 115.747 -178.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.28 16.93 21.39 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.819 175.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.449 ' HB3' ' OG ' ' A' ' 62' ' ' SER . . . -141.33 143.26 33.93 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 123.747 1.737 . . . . 10.0 110.042 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.495 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -146.14 151.24 44.16 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 110.636 -2.983 . . . . 10.0 108.298 -177.377 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.575 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 2.0 Cg_endo -46.2 118.86 2.65 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.225 2.617 . . . . 10.0 107.754 176.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.48 -10.34 8.42 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 113.834 -1.53 . . . . 10.0 109.123 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.421 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -93.09 6.65 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 115.493 -0.776 . . . . 10.0 111.179 -177.178 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.413 ' HD1' ' ND1' ' A' ' 57' ' ' HIS . 1.5 m-30 -39.8 -48.92 2.31 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.014 1.116 . . . . 10.0 114.014 -177.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.521 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 N-CA-C 110.282 -0.266 . . . . 10.0 110.282 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 . . . . . 0 N--CA 1.444 -0.756 0 N-CA-C 108.976 -0.75 . . . . 10.0 108.976 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.492 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 2.6 t 179.33 171.4 0.94 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 123.551 0.532 . . . . 10.0 110.654 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.39 168.38 16.64 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 107.594 -1.262 . . . . 10.0 107.594 -176.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.641 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 9.2 t -74.16 -0.32 16.34 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 112.461 -2.154 . . . . 10.0 111.682 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.416 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . . . -59.68 -147.42 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.448 0.907 . . . . 10.0 113.448 178.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.482 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 0.7 OUTLIER -112.43 70.72 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.697 -0.627 . . . . 10.0 109.406 -178.408 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.71 33.96 26.17 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.315 -0.945 . . . . 10.0 114.053 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.539 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 18.9 t -85.0 73.5 10.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.228 0.514 . . . . 10.0 111.75 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.492 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 6.9 mmtp -69.22 60.68 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 177.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -92.95 30.81 1.52 Allowed 'General case' 0 C--N 1.317 -0.805 0 O-C-N 121.352 -0.843 . . . . 10.0 111.536 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -23.58 133.67 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 O-C-N 125.253 1.595 . . . . 10.0 110.804 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -37.59 110.29 0.12 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.985 0.897 . . . . 10.0 111.318 -177.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.599 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 3.1 t0 -134.6 111.67 10.23 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 106.42 -1.696 . . . . 10.0 106.42 178.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -64.12 -16.64 62.25 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.122 -0.944 . . . . 10.0 111.829 -179.404 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.599 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -76.43 -23.78 53.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.248 -0.887 . . . . 10.0 108.677 179.633 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.533 ' HZ2' ' HB3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -100.69 145.45 30.37 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 107.9 -1.148 . . . . 10.0 107.9 178.799 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -90.23 76.23 0.96 Allowed 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 121.717 1.611 . . . . 10.0 116.266 -176.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.439 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 2.7 m -145.87 146.12 19.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-O 121.364 0.602 . . . . 10.0 111.26 178.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 p -104.64 168.6 8.97 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.072 -1.084 . . . . 10.0 108.072 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -120.73 101.46 7.74 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 117.397 2.369 . . . . 10.0 117.397 -176.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.711 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.38 162.67 13.7 Favored 'General case' 0 C--O 1.195 -1.775 0 N-CA-C 114.987 1.477 . . . . 10.0 114.987 -170.193 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 15.2 mtpt -95.05 165.47 12.41 Favored 'General case' 0 C--N 1.311 -1.068 0 C-N-CA 119.419 -0.912 . . . . 10.0 111.727 178.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.926 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -59.05 158.18 18.52 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 118.666 0.666 . . . . 10.0 110.323 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.658 ' HB3' HD13 ' A' ' 72' ' ' LEU . 49.3 Cg_endo -79.52 68.33 8.32 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.472 2.115 . . . . 10.0 108.409 177.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.1 mt -49.95 -36.06 26.47 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 112.99 -1.914 . . . . 10.0 115.109 -176.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.0 p -88.76 1.62 54.89 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 109.673 -3.421 . . . . 10.0 113.2 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.51 57.61 32.6 Favored Pre-proline 0 N--CA 1.447 -0.592 0 N-CA-C 106.145 -1.798 . . . . 10.0 106.145 174.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.523 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 4.5 Cg_endo -46.7 -56.1 3.26 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 123.844 3.03 . . . . 10.0 115.627 -175.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -47.37 57.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.279 0.561 . . . . 10.0 109.654 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.479 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.8 tm? -69.92 -33.15 71.78 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.428 -0.953 . . . . 10.0 108.428 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.926 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 49.4 t -63.29 -36.53 83.99 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 107.149 -1.426 . . . . 10.0 107.149 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -68.83 -24.08 64.33 Favored 'General case' 0 N--CA 1.427 -1.6 0 N-CA-C 113.726 1.01 . . . . 10.0 113.726 -176.126 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -75.18 -21.84 58.46 Favored 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 115.888 -2.325 . . . . 10.0 108.317 178.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.639 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.4 m0 -59.2 -26.23 64.66 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 106.21 -1.774 . . . . 10.0 106.21 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -55.82 -48.16 75.94 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 123.712 1.72 . . . . 10.0 109.33 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -53.49 -35.24 60.38 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 110.596 -3.002 . . . . 10.0 112.024 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.05 -16.55 31.32 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 119.841 -0.744 . . . . 10.0 110.197 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 36' ' ' TRP . 24.4 t -92.41 25.59 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 122.338 1.066 . . . . 10.0 108.471 175.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -56.95 13.67 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.748 1.388 . . . . 10.0 114.748 -177.747 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.483 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -76.59 145.56 38.86 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 122.2 -0.312 . . . . 10.0 110.277 -179.408 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -51.94 -54.79 25.46 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.83 68.15 9.83 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.449 -0.796 . . . . 10.0 109.265 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.648 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 2.5 t80 -49.46 122.83 6.66 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.39 -0.823 . . . . 10.0 108.844 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.648 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -61.86 -172.05 0.05 OUTLIER Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 114.837 -1.074 . . . . 10.0 110.826 179.209 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.742 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 81.0 Cg_exo -47.05 176.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 121.955 1.77 . . . . 10.0 112.054 178.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.7 p -82.19 -153.54 0.11 Allowed 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 103.354 -2.832 . . . . 10.0 103.354 172.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.568 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.0 -3.51 57.95 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 112.027 -2.351 . . . . 10.0 114.052 -173.408 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -78.25 -30.51 48.67 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 105.68 -1.97 . . . . 10.0 105.68 174.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.742 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 10.7 p -62.95 173.0 1.49 Allowed 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 120.675 1.579 . . . . 10.0 109.596 174.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.643 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -109.6 159.43 17.11 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.271 -1.332 . . . . 10.0 109.764 -179.791 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.643 HD12 ' C ' ' A' ' 52' ' ' SER . 2.7 mp -129.78 158.24 42.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 114.219 -1.355 . . . . 10.0 107.722 -175.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.577 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 15.2 p -105.84 157.43 17.47 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 119.988 1.267 . . . . 10.0 111.827 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.711 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 2.1 p -53.36 -41.15 65.56 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 118.85 2.908 . . . . 10.0 118.85 -173.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.557 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -54.14 -14.41 1.1 Allowed 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 114.607 1.336 . . . . 10.0 114.607 -176.282 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.524 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 82.7 m-70 -85.43 -17.05 37.74 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 114.643 1.349 . . . . 10.0 114.643 -177.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.597 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -125.18 174.69 7.91 Favored 'General case' 0 CA--C 1.502 -0.88 0 CA-C-N 118.412 0.551 . . . . 10.0 109.974 -178.441 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.11 140.1 42.59 Favored Pre-proline 0 N--CA 1.432 -1.325 0 N-CA-C 108.69 -0.855 . . . . 10.0 108.69 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.584 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.1 Cg_endo -49.75 -30.89 24.08 Favored 'Trans proline' 0 C--N 1.33 -0.433 0 C-N-CA 123.359 2.706 . . . . 10.0 113.015 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.05 -46.23 88.77 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.321 -1.308 . . . . 10.0 109.099 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.44 ' OG ' ' HB2' ' A' ' 73' ' ' LYS . 1.9 t -94.4 3.73 54.8 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 113.967 -1.469 . . . . 10.0 114.055 -175.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.584 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -36.81 -55.03 0.91 Allowed 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 -178.817 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.484 ' HB2' ' H ' ' A' ' 65' ' ' ARG . 31.3 pttt -173.66 -145.3 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.617 0.644 . . . . 10.0 112.539 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.484 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 3.0 ptm180 -54.72 -19.63 6.65 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.434 0.902 . . . . 10.0 113.434 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -80.55 5.53 15.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.016 0.436 . . . . 10.0 110.091 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.806 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.6 t -68.62 -101.66 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.632 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.42 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.5 OUTLIER -101.0 -68.66 0.8 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.872 0.367 . . . . 10.0 111.904 -178.483 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -109.41 -67.75 0.96 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.621 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -144.63 0.35 0.98 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.215 -0.594 . . . . 10.0 112.512 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.813 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -140.53 -164.59 1.75 Allowed 'General case' 0 C--O 1.214 -0.782 0 CA-C-O 118.622 -0.704 . . . . 10.0 110.426 -179.143 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.813 HD12 HD13 ' A' ' 71' ' ' LEU . 3.8 mp -64.33 -168.79 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 123.779 1.752 . . . . 10.0 110.922 -176.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.642 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -87.87 100.91 13.23 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 103.446 -2.798 . . . . 10.0 103.446 170.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.479 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -51.63 -7.99 0.05 Allowed 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 115.131 1.53 . . . . 10.0 115.131 -178.742 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.36 16.97 21.97 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.602 -0.726 . . . . 10.0 111.047 176.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.444 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -139.51 142.98 37.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 123.837 1.78 . . . . 10.0 109.418 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.49 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -144.48 149.15 43.1 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 110.254 -3.157 . . . . 10.0 108.853 -178.254 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.531 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 1.2 Cg_endo -46.94 118.99 3.04 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.54 2.827 . . . . 10.0 107.984 177.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.7 t -124.23 -10.95 7.53 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.123 -1.399 . . . . 10.0 109.57 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.416 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.9 OUTLIER -91.19 6.26 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.086 -0.961 . . . . 10.0 110.64 -177.279 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.531 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 2.0 m-30 -39.42 -52.79 2.07 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.046 1.128 . . . . 10.0 114.046 -178.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.482 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 -179.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 109.598 -0.519 . . . . 10.0 109.598 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.605 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 2.7 t -178.14 166.83 1.98 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 123.419 0.449 . . . . 10.0 111.562 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.414 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 2.7 m -80.75 165.29 22.06 Favored 'General case' 0 C--N 1.339 0.121 0 N-CA-C 107.844 -1.169 . . . . 10.0 107.844 -177.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.65 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 8.0 t -74.92 0.06 16.97 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 112.908 -1.951 . . . . 10.0 110.656 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.89 -149.32 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 113.972 1.101 . . . . 10.0 113.972 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.455 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -110.41 68.03 0.66 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.833 -0.622 . . . . 10.0 109.36 -178.236 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.69 33.21 25.28 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.54 -0.838 . . . . 10.0 113.291 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.517 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 14.6 t -88.13 75.98 8.58 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 117.567 0.684 . . . . 10.0 112.246 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.605 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 11.5 mtpt -72.69 63.99 0.63 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.336 -0.986 . . . . 10.0 108.336 176.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -92.07 32.17 1.18 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 119.296 0.953 . . . . 10.0 112.918 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -24.36 137.65 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 O-C-N 124.711 1.257 . . . . 10.0 112.026 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.472 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -43.19 109.42 0.14 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.45 0.643 . . . . 10.0 110.956 -178.18 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.542 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 17.8 t0 -134.49 117.45 16.24 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 105.542 -2.021 . . . . 10.0 105.542 177.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.96 -16.88 61.07 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.366 -0.834 . . . . 10.0 111.505 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.514 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . 96.4 m-20 -74.5 -24.24 58.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.17 -0.923 . . . . 10.0 109.687 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -100.7 140.96 21.78 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 108.335 -0.987 . . . . 10.0 108.335 179.221 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -86.71 75.63 2.63 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 121.463 1.442 . . . . 10.0 114.754 -177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.504 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 1.6 m -146.28 148.21 17.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-O 121.252 0.549 . . . . 10.0 111.213 178.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.4 169.1 8.78 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 108.034 -1.098 . . . . 10.0 108.034 177.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.472 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 1.9 m-85 -117.8 103.75 10.29 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 116.983 2.216 . . . . 10.0 116.983 -177.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.715 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -106.36 159.17 16.34 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 114.796 1.406 . . . . 10.0 114.796 -171.337 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -94.31 163.59 13.37 Favored 'General case' 0 C--N 1.309 -1.161 0 C-N-CA 119.124 -1.03 . . . . 10.0 111.122 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.875 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.5 m-85 -58.05 157.3 16.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 118.642 0.655 . . . . 10.0 111.092 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.689 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 91.7 Cg_endo -77.23 68.45 7.43 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.904 2.403 . . . . 10.0 109.484 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.623 HD21 ' HG3' ' A' ' 49' ' ' LYS . 12.6 mt -50.38 -35.25 27.31 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 112.778 -2.01 . . . . 10.0 115.257 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.0 p -90.31 0.09 57.4 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 109.896 -3.32 . . . . 10.0 113.328 -176.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.522 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -131.45 59.13 43.29 Favored Pre-proline 0 N--CA 1.444 -0.742 0 N-CA-C 106.118 -1.808 . . . . 10.0 106.118 175.404 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.501 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.4 Cg_endo -46.58 -53.14 6.44 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.814 3.009 . . . . 10.0 115.191 -175.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.4 m -52.15 -46.07 65.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.966 0.412 . . . . 10.0 109.939 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.48 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . 1.4 tm? -71.37 -32.64 68.73 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.196 -1.038 . . . . 10.0 108.196 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.875 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 49.9 t -62.96 -37.12 85.83 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.267 -1.382 . . . . 10.0 107.267 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -24.83 64.93 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 113.742 1.016 . . . . 10.0 113.742 -176.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -76.12 -22.25 55.72 Favored 'General case' 0 CA--C 1.497 -1.081 0 C-N-CA 116.448 -2.101 . . . . 10.0 108.95 179.477 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.673 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.2 m0 -58.39 -27.63 64.43 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 105.934 -1.876 . . . . 10.0 105.934 177.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -55.38 -48.12 74.79 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 123.632 1.682 . . . . 10.0 109.657 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -53.96 -34.72 60.5 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 110.677 -2.965 . . . . 10.0 112.63 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.422 ' O ' ' HD2' ' A' ' 81' ' ' PHE . . . -88.48 -15.99 33.9 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 120.311 -0.556 . . . . 10.0 111.206 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 36' ' ' TRP . 20.0 t -90.28 45.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 107.215 -1.402 . . . . 10.0 107.215 175.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.31 13.11 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.107 -1.406 . . . . 10.0 114.007 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -78.33 144.31 36.16 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -56.92 -56.38 22.36 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.274 0.559 . . . . 10.0 109.683 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.13 68.33 6.23 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.078 -0.965 . . . . 10.0 108.758 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.641 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 4.5 t80 -46.59 124.45 5.98 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.283 -0.871 . . . . 10.0 109.326 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.65 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.7 OUTLIER -62.63 -172.92 0.06 OUTLIER Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 114.632 -1.167 . . . . 10.0 111.262 179.605 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.774 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 82.7 Cg_exo -46.13 176.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.336 2.024 . . . . 10.0 112.832 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.6 p -82.49 -153.83 0.12 Allowed 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 103.253 -2.869 . . . . 10.0 103.253 172.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.623 ' HG3' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -90.33 -3.55 57.68 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 111.875 -2.42 . . . . 10.0 114.161 -173.756 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -78.16 -30.8 49.34 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 105.29 -2.115 . . . . 10.0 105.29 174.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.774 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 12.8 p -64.39 173.09 2.2 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 117.767 -1.573 . . . . 10.0 109.082 174.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.613 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -110.18 162.84 14.2 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.772 -1.103 . . . . 10.0 110.165 -178.171 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.613 HD12 ' C ' ' A' ' 52' ' ' SER . 3.3 mp -130.77 158.46 43.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 107.805 -1.183 . . . . 10.0 107.805 -176.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.571 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 13.9 p -106.33 156.77 18.17 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 119.927 1.24 . . . . 10.0 111.607 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.715 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.8 p -54.7 -37.12 65.43 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 118.972 2.952 . . . . 10.0 118.972 -172.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.54 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -55.29 -15.34 2.37 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 114.068 1.136 . . . . 10.0 114.068 -176.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.596 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 88.4 m-70 -86.25 -16.91 36.16 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 114.532 1.308 . . . . 10.0 114.532 -177.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.542 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -137.27 136.25 37.89 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 118.229 0.468 . . . . 10.0 110.891 -178.666 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.2 p -41.49 136.59 1.85 Allowed Pre-proline 0 N--CA 1.431 -1.39 0 O-C-N 124.795 1.31 . . . . 10.0 111.17 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.584 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.0 Cg_endo -49.49 -29.35 18.28 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.86 2.373 . . . . 10.0 111.887 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.616 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 3.4 m-20 -59.2 -49.71 76.81 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 113.724 -1.58 . . . . 10.0 107.653 174.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.669 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -89.72 6.08 43.08 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 114.219 1.192 . . . . 10.0 114.219 -174.376 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.584 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 1.1 m-30 -39.84 -56.9 1.68 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 114.624 1.342 . . . . 10.0 114.624 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -174.94 -143.61 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.329 0.513 . . . . 10.0 112.168 -177.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.45 -14.34 2.96 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.977 0.732 . . . . 10.0 112.977 -179.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -81.85 6.25 16.28 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.835 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.4 t -72.03 -110.68 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.089 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.467 ' N ' ' OG ' ' A' ' 67' ' ' SER . 1.0 OUTLIER -101.23 -65.38 0.98 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.717 0.636 . . . . 10.0 112.717 -178.411 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -104.25 -70.49 0.77 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.025 0.75 . . . . 10.0 113.025 -177.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -144.71 -6.0 0.71 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.392 -0.523 . . . . 10.0 112.175 -177.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.993 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -140.08 -159.32 0.94 Allowed 'General case' 0 C--O 1.214 -0.813 0 CA-C-O 118.325 -0.845 . . . . 10.0 110.002 -179.059 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.993 HD12 HD13 ' A' ' 71' ' ' LEU . 1.4 mp -64.63 -171.29 0.06 Allowed 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 122.425 1.107 . . . . 10.0 110.19 -176.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.67 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 4.4 mmmm -87.9 100.21 12.71 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 103.307 -2.849 . . . . 10.0 103.307 170.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.522 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 1.8 pm0 -48.78 -7.06 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 116.722 2.119 . . . . 10.0 116.722 -176.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.26 19.53 20.22 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.368 0.604 . . . . 10.0 110.57 175.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.428 ' HB3' ' OG ' ' A' ' 62' ' ' SER . . . -142.51 142.6 32.27 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 123.424 1.583 . . . . 10.0 109.508 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.539 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -145.42 150.69 45.13 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 110.985 -2.825 . . . . 10.0 108.361 -177.831 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.596 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 1.3 Cg_endo -46.74 119.64 3.44 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 123.403 2.735 . . . . 10.0 107.677 177.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 t -124.67 -11.29 7.28 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 113.747 -1.569 . . . . 10.0 109.497 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.451 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -91.74 6.9 5.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.8 -176.133 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.441 ' HA ' ' ND1' ' A' ' 57' ' ' HIS . 2.2 m-30 -39.45 -48.39 1.96 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.765 1.024 . . . . 10.0 113.765 -177.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.455 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 N-CA-C 110.216 -0.29 . . . . 10.0 110.216 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 . . . . . 0 C--O 1.235 0.291 0 N-CA-C 107.807 -1.183 . . . . 10.0 107.807 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.514 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 1.6 t 179.73 168.57 1.18 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.421 -1.263 . . . . 10.0 109.113 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.431 ' C ' ' H ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -77.8 170.93 15.75 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 123.414 1.578 . . . . 10.0 107.855 -175.156 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.602 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 1.2 m -78.44 16.28 0.84 Allowed 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 110.679 -2.964 . . . . 10.0 109.435 178.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.431 ' H ' ' C ' ' A' ' 5' ' ' CYS . . . -80.65 -146.39 0.05 Allowed 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 114.611 -1.177 . . . . 10.0 108.941 -177.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.409 ' CE1' ' HG2' ' A' ' 42' ' ' ARG . 2.9 t80 -123.15 80.12 1.74 Allowed 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.437 0.637 . . . . 10.0 109.981 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.13 23.08 50.19 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.364 -0.835 . . . . 10.0 114.413 177.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.544 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 26.5 t -85.74 73.94 10.31 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 111.911 0.337 . . . . 10.0 111.911 -179.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.514 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 17.1 mmtp -72.57 64.09 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.664 -1.236 . . . . 10.0 107.664 176.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.464 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 4.9 m-20 -94.51 29.84 2.16 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 121.939 -0.476 . . . . 10.0 111.544 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -24.2 134.63 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.204 0 O-C-N 125.124 1.515 . . . . 10.0 111.588 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -40.23 109.57 0.12 Allowed 'General case' 0 C--N 1.346 0.422 0 O-C-N 123.809 0.693 . . . . 10.0 111.852 -177.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 42.7 t0 -134.19 108.85 8.51 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 104.853 -2.277 . . . . 10.0 104.853 177.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.461 ' HD3' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -57.28 -15.6 6.53 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 113.999 -1.455 . . . . 10.0 111.631 179.218 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.4 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 8.9 m-20 -72.73 -24.39 60.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.061 -0.972 . . . . 10.0 109.248 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -106.14 149.23 37.9 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 114.946 -1.025 . . . . 10.0 108.251 179.416 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -90.53 75.74 0.89 Allowed 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 121.373 1.382 . . . . 10.0 115.622 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.59 143.53 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 121.76 0.791 . . . . 10.0 111.764 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 p -105.58 166.69 10.27 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 114.886 -1.052 . . . . 10.0 108.619 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -121.03 101.27 7.56 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 117.985 2.587 . . . . 10.0 117.985 -177.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.669 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.72 164.82 11.91 Favored 'General case' 0 C--O 1.195 -1.816 0 N-CA-C 115.196 1.554 . . . . 10.0 115.196 -170.4 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 23.5 mtpt -96.21 165.03 12.42 Favored 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 119.078 -1.049 . . . . 10.0 111.513 177.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.826 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.5 m-85 -58.76 158.17 17.05 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 118.58 0.627 . . . . 10.0 110.698 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.666 ' HB3' HD13 ' A' ' 72' ' ' LEU . 41.2 Cg_endo -79.72 68.03 8.42 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.826 2.351 . . . . 10.0 108.719 177.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.695 HD21 ' HG3' ' A' ' 49' ' ' LYS . 9.1 mt -49.37 -38.42 28.48 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 112.401 -2.181 . . . . 10.0 115.506 -176.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 p -88.41 2.49 52.57 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 110.07 -3.241 . . . . 10.0 113.029 -175.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.431 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.29 59.58 46.41 Favored Pre-proline 0 N--CA 1.448 -0.546 0 N-CA-C 105.528 -2.026 . . . . 10.0 105.528 174.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.478 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 7.5 Cg_endo -47.41 -56.44 3.06 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.991 3.127 . . . . 10.0 116.412 -174.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.75 -44.23 63.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 118.569 0.622 . . . . 10.0 109.773 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.415 HD21 ' O ' ' A' ' 76' ' ' ALA . 1.8 tm? -70.39 -33.73 71.74 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.92 -1.037 . . . . 10.0 108.45 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.826 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 24.6 t -63.08 -37.57 87.73 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 106.943 -1.503 . . . . 10.0 106.943 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -26.06 65.44 Favored 'General case' 0 N--CA 1.434 -1.25 0 N-CA-C 113.48 0.919 . . . . 10.0 113.48 -176.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.481 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -73.63 -23.14 59.85 Favored 'General case' 0 CA--C 1.498 -1.041 0 C-N-CA 115.789 -2.364 . . . . 10.0 108.582 179.282 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.68 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.1 m0 -57.58 -30.78 65.56 Favored 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 106.267 -1.753 . . . . 10.0 106.267 178.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -54.25 -49.0 70.53 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 123.946 1.832 . . . . 10.0 109.879 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -55.28 -35.83 65.46 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 110.192 -3.186 . . . . 10.0 112.468 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.38 -13.3 49.84 Favored 'General case' 0 C--N 1.312 -1.046 0 C-N-CA 120.422 -0.511 . . . . 10.0 110.976 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 36' ' ' TRP . 12.5 t -91.83 37.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 122.53 1.157 . . . . 10.0 108.015 173.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.3 13.82 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.872 1.804 . . . . 10.0 115.872 -177.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.437 ' HA ' ' HD2' ' A' ' 42' ' ' ARG . 3.5 tpt180 -97.57 148.47 23.24 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 121.274 -0.891 . . . . 10.0 111.729 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.9 tttm -52.38 -44.58 65.37 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.136 0.493 . . . . 10.0 110.042 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -82.36 64.14 6.88 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.378 -0.828 . . . . 10.0 110.579 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.482 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 15.5 t80 -57.09 118.65 5.23 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.2 -1.037 . . . . 10.0 108.2 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.602 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -60.98 -172.32 0.04 OUTLIER Pre-proline 0 C--O 1.215 -0.735 0 CA-C-N 115.037 -0.983 . . . . 10.0 111.086 179.678 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.784 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 74.7 Cg_exo -44.78 177.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 122.823 2.349 . . . . 10.0 112.705 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.5 p -82.12 -155.12 0.13 Allowed 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 102.649 -3.093 . . . . 10.0 102.649 172.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.695 ' HG3' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -90.46 0.0 57.48 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 112.627 -2.079 . . . . 10.0 114.107 -173.77 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -79.17 -32.65 44.26 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 105.664 -1.976 . . . . 10.0 105.664 173.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.784 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 14.4 p -61.66 172.58 1.2 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 120.571 1.532 . . . . 10.0 109.391 175.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.648 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -109.55 159.58 16.96 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.377 -1.283 . . . . 10.0 110.223 -178.665 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.648 HD12 ' C ' ' A' ' 52' ' ' SER . 2.8 mp -129.68 158.54 42.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 N-CA-C 107.541 -1.281 . . . . 10.0 107.541 -176.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.578 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 16.9 p -106.5 155.82 19.2 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.957 1.253 . . . . 10.0 112.214 178.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.693 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 13.2 p -49.74 -42.34 45.95 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 118.311 2.708 . . . . 10.0 118.311 -173.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.578 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -56.06 -14.7 2.79 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 114.556 1.317 . . . . 10.0 114.556 -176.025 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.467 ' HA ' ' HB ' ' A' ' 80' ' ' ILE . 85.9 m-70 -83.74 -17.18 42.11 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 114.178 1.177 . . . . 10.0 114.178 -177.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.558 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -125.18 174.74 7.87 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 108.986 -0.746 . . . . 10.0 108.986 -179.589 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.19 140.63 49.34 Favored Pre-proline 0 N--CA 1.425 -1.677 0 N-CA-C 107.885 -1.154 . . . . 10.0 107.885 178.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.556 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 8.3 Cg_endo -48.47 -29.93 14.72 Favored 'Trans proline' 0 C--N 1.33 -0.43 0 C-N-CA 123.48 2.786 . . . . 10.0 112.395 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.565 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 1.7 m-20 -57.48 -49.56 75.89 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.939 -1.482 . . . . 10.0 109.305 177.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.558 ' CB ' ' HG2' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -92.77 4.87 52.99 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 114.235 -1.348 . . . . 10.0 113.519 -174.491 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.693 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 0.4 OUTLIER -35.33 -54.6 0.65 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 114.137 1.162 . . . . 10.0 114.137 179.666 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.411 ' HG3' ' OE1' ' A' ' 66' ' ' GLU . 10.9 pttp -176.71 -138.32 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 118.512 0.596 . . . . 10.0 112.435 -178.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.41 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 3.4 ptm180 -63.25 -14.18 46.44 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.628 0.603 . . . . 10.0 112.628 -177.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.411 ' OE1' ' HG3' ' A' ' 64' ' ' LYS . 4.4 mp0 -86.38 6.7 28.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.937 0.399 . . . . 10.0 109.957 178.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.784 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.3 t -66.73 -101.86 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.359 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -101.66 -69.55 0.78 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.693 0.282 . . . . 10.0 111.264 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -102.5 -70.74 0.74 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.678 -0.409 . . . . 10.0 111.831 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.98 2.98 0.92 Allowed 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.397 0.517 . . . . 10.0 112.397 -179.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.784 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -144.23 -167.04 2.52 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-O 118.467 -0.778 . . . . 10.0 109.352 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.704 HD12 HD13 ' A' ' 71' ' ' LEU . 3.9 mp -63.78 -173.95 0.09 Allowed 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 122.67 1.224 . . . . 10.0 110.271 -175.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.633 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -88.46 106.03 18.0 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 104.008 -2.59 . . . . 10.0 104.008 170.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.431 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -49.81 -7.09 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 116.316 1.969 . . . . 10.0 116.316 -177.846 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -108.71 16.05 23.16 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.979 176.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.415 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -137.87 143.72 41.04 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 123.589 1.662 . . . . 10.0 109.925 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.415 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -147.11 148.77 33.24 Favored Pre-proline 0 CA--C 1.538 0.518 0 CA-C-N 110.674 -2.966 . . . . 10.0 108.719 -177.499 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.561 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 1.6 Cg_endo -44.96 120.65 3.04 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 123.595 2.863 . . . . 10.0 108.148 177.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t -123.97 -10.27 7.69 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 113.75 -1.568 . . . . 10.0 109.774 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.467 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.9 OUTLIER -94.61 6.74 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.642 -176.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.458 ' HA ' ' ND1' ' A' ' 57' ' ' HIS . 1.8 m-30 -40.05 -50.41 2.58 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.731 1.011 . . . . 10.0 113.731 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.605 0.24 . . . . 10.0 110.578 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 . . . . . 0 N--CA 1.447 -0.612 0 CA-C-O 119.511 -0.28 . . . . 10.0 110.4 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.616 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 176.08 171.56 0.39 Allowed 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.37 0.419 . . . . 10.0 111.207 178.536 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.05 163.66 24.02 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 107.096 -1.446 . . . . 10.0 107.096 -177.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.576 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 7.5 t -71.93 2.31 5.8 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 113.412 -1.722 . . . . 10.0 111.709 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.84 -150.54 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.885 0.85 . . . . 10.0 112.625 178.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.606 ' CE1' ' HD3' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -114.42 73.65 0.84 Allowed 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 121.239 -0.913 . . . . 10.0 109.381 -178.429 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.52 21.73 53.05 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.537 -0.839 . . . . 10.0 114.485 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.499 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 36.6 t -80.84 75.24 7.78 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 117.636 0.718 . . . . 10.0 112.145 -179.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.616 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 17.5 mttt -72.17 65.33 0.58 Allowed 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.558 -0.904 . . . . 10.0 108.558 176.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -88.27 31.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.129 -0.357 . . . . 10.0 111.459 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -24.9 134.06 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 O-C-N 124.526 1.141 . . . . 10.0 111.706 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.53 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -44.35 111.05 0.26 Allowed 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.962 0.886 . . . . 10.0 111.378 -178.368 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.448 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 51.5 t0 -136.59 109.7 7.75 Favored 'General case' 0 N--CA 1.435 -1.206 0 CA-C-N 113.282 -1.781 . . . . 10.0 106.239 177.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -15.98 38.96 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.703 0.763 . . . . 10.0 111.09 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.448 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -72.86 -24.66 60.9 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 114.707 -1.133 . . . . 10.0 109.248 179.361 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -103.11 147.38 34.04 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 114.578 -1.192 . . . . 10.0 108.373 178.718 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -91.46 75.92 0.62 Allowed 'Trans proline' 0 CA--C 1.533 0.461 0 N-CA-C 116.48 1.685 . . . . 10.0 116.48 -177.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 m -143.98 145.89 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.38 0.61 . . . . 10.0 111.409 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 p -105.36 166.63 10.29 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.337 -0.847 . . . . 10.0 108.725 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.53 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -116.42 102.22 9.33 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 117.189 2.292 . . . . 10.0 117.189 -176.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.731 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.29 161.24 14.97 Favored 'General case' 0 C--O 1.2 -1.543 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 -171.063 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -94.81 163.16 13.46 Favored 'General case' 0 C--N 1.312 -1.064 0 C-N-CA 119.356 -0.938 . . . . 10.0 110.972 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.856 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.1 m-85 -58.48 158.1 16.11 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 118.323 0.51 . . . . 10.0 111.162 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.651 ' HB3' HD13 ' A' ' 72' ' ' LEU . 59.7 Cg_endo -78.21 67.05 8.28 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.057 2.505 . . . . 10.0 108.933 178.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.487 HD21 ' HG3' ' A' ' 49' ' ' LYS . 16.3 mt -49.23 -39.04 28.53 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 112.133 -2.303 . . . . 10.0 115.908 -176.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 p -89.53 2.49 54.53 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 110.242 -3.163 . . . . 10.0 112.937 -175.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.478 ' HD3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -131.63 58.61 39.18 Favored Pre-proline 0 N--CA 1.447 -0.615 0 N-CA-C 105.517 -2.031 . . . . 10.0 105.517 174.341 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.401 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 9.5 Cg_endo -48.5 -50.54 12.08 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.886 3.058 . . . . 10.0 115.729 -174.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -47.6 63.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.478 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . 1.2 tm? -69.76 -34.02 73.21 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.394 -0.965 . . . . 10.0 108.394 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.856 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 8.8 t -62.69 -37.06 84.98 Favored 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 107.742 -1.207 . . . . 10.0 107.742 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -69.36 -23.91 63.82 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 -176.316 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.477 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -75.73 -22.57 56.43 Favored 'General case' 0 CA--C 1.491 -1.319 0 C-N-CA 116.434 -2.106 . . . . 10.0 108.638 179.21 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.692 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.3 m0 -58.83 -26.81 64.51 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 105.265 -2.124 . . . . 10.0 105.265 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -55.23 -48.87 73.28 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-O 123.807 1.765 . . . . 10.0 109.866 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -55.82 -32.44 63.57 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 110.425 -3.08 . . . . 10.0 112.785 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.407 ' O ' ' HD2' ' A' ' 81' ' ' PHE . . . -87.84 -16.97 32.57 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 120.397 -0.521 . . . . 10.0 110.747 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 36' ' ' TRP . 16.2 t -91.85 34.79 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 N-CA-C 107.659 -1.237 . . . . 10.0 107.659 174.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.3 12.6 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.303 1.594 . . . . 10.0 115.303 -176.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.606 ' HD3' ' CE1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -80.09 145.95 32.15 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.888 -0.508 . . . . 10.0 109.798 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.4 tttt -53.69 -54.38 38.69 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.535 0.683 . . . . 10.0 109.797 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.456 ' OD1' ' HG3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -82.82 66.28 8.36 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 115.291 -0.868 . . . . 10.0 108.957 179.176 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.623 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -50.25 120.87 4.88 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.65 -0.87 . . . . 10.0 108.65 178.342 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.623 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -58.63 -172.77 0.04 OUTLIER Pre-proline 0 C--O 1.22 -0.484 0 C-N-CA 124.464 1.105 . . . . 10.0 111.282 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.747 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 94.4 Cg_exo -44.74 175.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.967 1.778 . . . . 10.0 112.383 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.3 p -83.58 -153.35 0.13 Allowed 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 103.598 -2.742 . . . . 10.0 103.598 172.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.08 -2.09 58.05 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 112.387 -2.188 . . . . 10.0 113.647 -174.083 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -78.04 -31.04 50.15 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 105.253 -2.128 . . . . 10.0 105.253 174.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.747 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 14.1 p -64.89 173.31 2.37 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 120.648 1.567 . . . . 10.0 109.39 174.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.679 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -111.91 162.58 15.17 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.226 -0.897 . . . . 10.0 109.971 -178.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.679 HD12 ' C ' ' A' ' 52' ' ' SER . 2.2 mp -131.06 159.1 43.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 C-N-CA 124.725 1.21 . . . . 10.0 108.23 -175.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.543 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 16.1 p -106.44 152.73 23.25 Favored 'General case' 0 CA--C 1.555 1.136 0 CA-C-N 119.439 1.018 . . . . 10.0 112.108 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.731 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 24.7 p -47.97 -42.34 27.4 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 118.689 2.848 . . . . 10.0 118.689 -173.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.543 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -55.95 -14.75 2.7 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 114.287 1.217 . . . . 10.0 114.287 -176.071 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.446 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 74.7 m-70 -84.13 -16.98 41.63 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 114.568 1.322 . . . . 10.0 114.568 -177.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.502 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -126.65 174.16 8.93 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 118.323 0.51 . . . . 10.0 109.707 -179.206 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.63 141.6 60.55 Favored Pre-proline 0 N--CA 1.431 -1.387 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.62 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 10.2 Cg_endo -51.24 -32.75 42.09 Favored 'Trans proline' 0 C--N 1.324 -0.727 0 C-N-CA 123.433 2.756 . . . . 10.0 112.921 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -60.94 -43.75 98.21 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 114.553 -1.203 . . . . 10.0 108.722 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.488 ' OG ' ' HB2' ' A' ' 73' ' ' LYS . 1.5 t -93.31 3.17 56.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.815 -1.539 . . . . 10.0 114.085 -174.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.62 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -36.79 -60.11 0.64 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.431 1.271 . . . . 10.0 114.431 -179.227 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -168.97 -142.31 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 118.398 0.544 . . . . 10.0 112.126 -178.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.425 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 2.9 ptm180 -58.12 -14.5 6.95 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.121 0.786 . . . . 10.0 113.121 -178.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -85.06 7.6 20.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.134 0.492 . . . . 10.0 109.727 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.797 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.7 t -70.88 -105.92 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.411 -0.813 . . . . 10.0 111.906 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.451 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -103.1 -69.34 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.381 0.511 . . . . 10.0 112.381 -178.701 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -100.49 -71.94 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.99 -0.55 . . . . 10.0 112.359 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.403 ' HB2' ' HE2' ' A' ' 70' ' ' LYS . 3.4 tppt? -145.72 -2.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.665 -0.414 . . . . 10.0 111.714 -178.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.797 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -140.42 -161.74 1.25 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 -178.709 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.718 HD12 HD13 ' A' ' 71' ' ' LEU . 4.2 mp -63.33 -169.0 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 123.691 1.71 . . . . 10.0 110.655 -177.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.679 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -86.2 101.72 13.27 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 103.066 -2.939 . . . . 10.0 103.066 171.773 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.404 ' HB2' HH11 ' A' ' 29' ' ' ARG . 0.1 OUTLIER -50.62 -10.89 0.07 Allowed 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 115.16 1.541 . . . . 10.0 115.16 -177.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.23 18.38 21.15 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.903 -1.044 . . . . 10.0 111.096 176.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.6 144.86 34.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 123.971 1.843 . . . . 10.0 110.722 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.491 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -145.3 150.96 46.51 Favored Pre-proline 0 N--CA 1.45 -0.472 0 CA-C-N 110.445 -3.071 . . . . 10.0 108.015 -178.225 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.496 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 1.8 Cg_endo -46.33 121.46 4.62 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.369 2.713 . . . . 10.0 108.099 177.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.12 -12.23 7.44 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.043 -1.435 . . . . 10.0 109.852 177.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.444 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 1.2 mm -89.1 6.68 3.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.181 -176.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.648 ' HE2' HG22 ' A' ' 40' ' ' VAL . 2.6 m-30 -40.0 -50.73 2.56 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.016 1.117 . . . . 10.0 114.016 -177.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.404 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.322 0 CA-C-O 120.785 0.326 . . . . 10.0 110.961 -178.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 . . . . . 0 N--CA 1.444 -0.736 0 N-CA-C 107.632 -1.247 . . . . 10.0 107.632 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.662 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -175.28 158.14 2.32 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.247 -0.888 . . . . 10.0 110.51 178.778 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.518 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 4.1 m -79.37 164.94 23.63 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 106.894 -1.521 . . . . 10.0 106.894 -176.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.566 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 5.4 t -74.77 2.42 10.13 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 113.273 -1.785 . . . . 10.0 111.613 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.92 -147.79 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.69 0.757 . . . . 10.0 112.49 177.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.517 ' CD1' ' HD3' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -112.2 69.28 0.69 Allowed 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.526 -0.916 . . . . 10.0 108.526 -179.303 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.87 34.7 8.79 Favored Glycine 0 N--CA 1.444 -0.804 0 N-CA-C 115.346 0.898 . . . . 10.0 115.346 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.52 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 17.4 t -90.67 77.3 6.37 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 117.75 0.775 . . . . 10.0 113.024 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.662 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 68.6 mttt -75.09 63.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.851 -1.166 . . . . 10.0 107.851 175.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.26 26.35 1.22 Allowed 'General case' 0 C--N 1.318 -0.788 0 O-C-N 121.473 -0.767 . . . . 10.0 111.275 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -24.94 129.57 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.94 1.4 . . . . 10.0 110.471 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.418 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -31.49 108.98 0.05 Allowed 'General case' 0 N--CA 1.471 0.598 0 O-C-N 124.169 0.918 . . . . 10.0 113.379 -176.041 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.418 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 18.6 t70 -137.08 108.7 6.97 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 106.108 -1.812 . . . . 10.0 106.108 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -22.63 66.58 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.12 -0.945 . . . . 10.0 110.432 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -61.76 -27.44 68.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.438 -1.256 . . . . 10.0 108.871 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.522 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -103.91 142.29 24.29 Favored Pre-proline 0 N--CA 1.447 -0.589 0 CA-C-N 114.237 -1.347 . . . . 10.0 107.943 178.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -88.22 77.66 1.51 Allowed 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 121.553 1.502 . . . . 10.0 115.459 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.522 HG13 ' HG3' ' A' ' 18' ' ' LYS . 1.8 m -144.92 146.92 19.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 121.222 0.534 . . . . 10.0 111.975 177.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.04 168.53 9.07 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.058 -1.09 . . . . 10.0 108.058 176.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.418 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -116.03 102.75 9.92 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 117.478 2.399 . . . . 10.0 117.478 -176.595 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.668 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.18 157.97 17.47 Favored 'General case' 0 C--O 1.196 -1.727 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 -172.229 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 5.5 mtpt -95.91 165.53 12.23 Favored 'General case' 0 C--N 1.311 -1.068 0 C-N-CA 119.083 -1.047 . . . . 10.0 111.839 178.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.868 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.6 m-85 -56.62 156.47 12.0 Favored Pre-proline 0 N--CA 1.47 0.55 0 CA-C-N 118.913 0.778 . . . . 10.0 111.749 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.632 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 63.9 Cg_endo -77.85 67.63 7.94 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.092 2.528 . . . . 10.0 109.12 177.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.603 HD21 ' HG3' ' A' ' 49' ' ' LYS . 8.6 mt -50.22 -36.69 31.95 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-O 124.389 2.042 . . . . 10.0 115.236 -176.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.1 p -88.43 1.05 55.53 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 109.554 -3.476 . . . . 10.0 113.093 -175.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.537 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.78 59.19 44.29 Favored Pre-proline 0 N--CA 1.441 -0.877 0 N-CA-C 105.916 -1.883 . . . . 10.0 105.916 175.035 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.469 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.4 Cg_endo -47.15 -55.84 3.56 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.871 3.047 . . . . 10.0 115.933 -174.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m -50.97 -44.93 60.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.418 0.628 . . . . 10.0 109.95 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.461 HD21 ' O ' ' A' ' 76' ' ' ALA . 1.1 tm? -70.01 -35.79 74.62 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.981 -1.009 . . . . 10.0 108.477 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.868 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 35.4 t -62.19 -36.91 83.34 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 106.965 -1.494 . . . . 10.0 106.965 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -26.12 65.49 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 113.826 1.047 . . . . 10.0 113.826 -176.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -74.71 -22.08 59.03 Favored 'General case' 0 CA--C 1.493 -1.239 0 C-N-CA 115.774 -2.371 . . . . 10.0 109.187 178.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.631 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.7 m0 -58.53 -28.74 65.73 Favored 'General case' 0 N--CA 1.437 -1.111 0 N-CA-C 105.865 -1.902 . . . . 10.0 105.865 178.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -55.18 -47.96 74.48 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 123.628 1.68 . . . . 10.0 110.096 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.95 -34.9 63.68 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 110.643 -2.98 . . . . 10.0 112.38 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.423 ' O ' ' HD2' ' A' ' 81' ' ' PHE . . . -87.33 -16.18 35.82 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 120.382 -0.527 . . . . 10.0 110.055 -179.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 36' ' ' TRP . 26.2 t -91.93 35.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 107.55 -1.278 . . . . 10.0 107.55 174.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.61 9.56 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 114.488 -1.233 . . . . 10.0 114.148 -178.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.517 ' HD3' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -73.57 135.68 43.94 Favored 'General case' 0 C--N 1.312 -1.056 0 O-C-N 122.15 -0.344 . . . . 10.0 110.359 179.615 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.655 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -51.84 -47.32 64.44 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.568 0.699 . . . . 10.0 109.505 178.685 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.655 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -87.21 66.5 9.28 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 114.911 -1.04 . . . . 10.0 108.704 179.12 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.65 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 1.8 t80 -49.36 120.23 3.94 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.423 -0.808 . . . . 10.0 109.531 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.65 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -61.22 -172.08 0.04 OUTLIER Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 114.634 -1.166 . . . . 10.0 110.242 179.088 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.744 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 85.0 Cg_exo -45.4 175.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.123 1.882 . . . . 10.0 112.407 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.0 p -82.73 -153.65 0.12 Allowed 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 103.435 -2.802 . . . . 10.0 103.435 173.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.603 ' HG3' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -90.08 -4.64 57.24 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 111.552 -2.567 . . . . 10.0 113.765 -173.61 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -77.43 -30.92 53.65 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 105.145 -2.168 . . . . 10.0 105.145 174.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.744 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 15.3 p -64.47 173.59 2.05 Favored 'General case' 0 C--N 1.314 -0.959 0 C-N-CA 117.572 -1.651 . . . . 10.0 109.072 174.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.594 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.67 163.2 13.7 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.52 -1.218 . . . . 10.0 110.209 -178.044 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.594 HD12 ' C ' ' A' ' 52' ' ' SER . 3.4 mp -131.56 157.78 43.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 107.373 -1.343 . . . . 10.0 107.373 -176.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.588 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 14.0 p -107.14 160.3 15.68 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.842 1.201 . . . . 10.0 111.352 178.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.668 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.5 p -56.3 -37.33 69.75 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 118.863 2.912 . . . . 10.0 118.863 -172.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.541 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -55.52 -14.64 2.16 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.132 1.16 . . . . 10.0 114.132 -176.401 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 92.8 m-70 -86.76 -15.59 38.92 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.745 1.387 . . . . 10.0 114.745 -177.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.526 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -138.58 140.8 39.15 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 118.418 0.554 . . . . 10.0 111.441 -178.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.407 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 1.1 p -43.5 136.08 3.31 Favored Pre-proline 0 N--CA 1.43 -1.436 0 CA-C-N 114.186 -1.37 . . . . 10.0 110.847 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.706 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 8.3 Cg_endo -49.8 -29.23 19.76 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 122.971 2.447 . . . . 10.0 112.158 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.662 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -61.1 -48.6 80.93 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 113.508 -1.678 . . . . 10.0 107.5 175.118 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.616 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -91.19 6.38 45.32 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 114.06 1.133 . . . . 10.0 114.06 -174.79 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.706 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -38.71 -59.99 0.88 Allowed 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.896 -1.047 . . . . 10.0 113.545 179.787 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -175.49 -135.36 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.374 0.509 . . . . 10.0 112.374 -177.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -58.46 -13.4 5.43 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.385 0.674 . . . . 10.0 112.784 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -83.08 5.06 23.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.702 0.287 . . . . 10.0 110.431 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.857 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.4 t -68.63 -110.36 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.362 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.459 ' N ' ' OG ' ' A' ' 67' ' ' SER . 9.7 t30 -101.4 -69.04 0.79 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.174 0.511 . . . . 10.0 111.495 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -94.63 -74.22 0.55 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.191 0.812 . . . . 10.0 113.191 -177.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.415 ' HB2' ' HE2' ' A' ' 70' ' ' LYS . 1.7 tppt? -147.99 0.53 0.63 Allowed 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.056 0.391 . . . . 10.0 112.056 -178.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.857 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -139.38 -162.96 1.4 Allowed 'General case' 0 C--O 1.212 -0.888 0 CA-C-O 118.241 -0.885 . . . . 10.0 109.407 -179.557 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.721 HD12 HD13 ' A' ' 71' ' ' LEU . 3.1 mp -65.29 -172.15 0.09 Allowed 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 122.909 1.338 . . . . 10.0 110.458 -176.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.662 ' HD3' ' O ' ' A' ' 61' ' ' ASP . 2.1 mmmm -89.04 103.11 15.75 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 103.73 -2.692 . . . . 10.0 103.73 170.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.537 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 2.1 pm0 -50.6 -4.57 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 115.915 1.82 . . . . 10.0 115.915 -178.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.09 17.8 21.27 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.576 176.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.461 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -143.66 146.65 33.4 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 123.42 1.581 . . . . 10.0 110.639 -178.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.523 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -148.72 150.32 32.94 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 110.848 -2.887 . . . . 10.0 108.558 -177.514 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.523 ' HD2' HG23 ' A' ' 77' ' ' VAL . 1.5 Cg_endo -46.35 121.73 4.89 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.622 2.882 . . . . 10.0 107.896 177.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -125.46 -10.99 6.87 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.293 -1.321 . . . . 10.0 109.762 176.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -90.14 5.75 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.126 -176.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.435 ' HE2' HG22 ' A' ' 40' ' ' VAL . 2.6 m-30 -39.35 -51.18 2.07 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.612 0.967 . . . . 10.0 113.612 -177.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.443 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 119.05 -0.5 . . . . 10.0 110.532 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.578 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 174.41 173.78 0.19 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.022 0.439 . . . . 10.0 111.441 179.117 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.569 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -86.17 161.14 18.99 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 107.021 -1.474 . . . . 10.0 107.021 -177.673 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.561 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 10.6 t -69.67 3.28 2.57 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 113.562 -1.654 . . . . 10.0 112.733 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.71 -152.71 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.806 0.812 . . . . 10.0 112.752 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.436 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 1.0 OUTLIER -108.85 71.33 0.77 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 -178.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.74 28.56 38.13 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.523 -0.846 . . . . 10.0 113.083 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.529 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 41.3 t -83.58 74.33 10.13 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 117.92 0.86 . . . . 10.0 111.671 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.578 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 28.1 mmtp -68.75 63.87 0.11 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.934 -1.136 . . . . 10.0 107.934 176.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.53 30.67 0.7 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 118.585 0.629 . . . . 10.0 112.019 -179.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -22.93 134.68 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 O-C-N 125.248 1.592 . . . . 10.0 111.958 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.545 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -48.0 113.01 0.65 Allowed 'General case' 0 C--N 1.347 0.471 0 CA-C-O 122.185 0.993 . . . . 10.0 110.031 -178.595 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -140.57 113.69 8.44 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 105.061 -2.2 . . . . 10.0 105.061 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -17.26 37.56 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.669 0.747 . . . . 10.0 110.79 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.98 -27.65 66.77 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.523 -1.217 . . . . 10.0 109.58 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.68 147.66 33.94 Favored Pre-proline 0 C--N 1.328 -0.361 0 N-CA-C 108.454 -0.943 . . . . 10.0 108.454 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -90.69 75.42 0.85 Allowed 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 121.552 1.502 . . . . 10.0 115.867 -177.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.442 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 1.9 m -146.21 149.83 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 121.261 0.553 . . . . 10.0 112.311 178.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.7 p -108.43 168.52 9.26 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.114 -0.948 . . . . 10.0 108.595 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.545 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -120.03 101.51 7.9 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 117.045 2.239 . . . . 10.0 117.045 -177.772 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.708 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.19 163.0 13.38 Favored 'General case' 0 C--O 1.198 -1.61 0 N-CA-C 115.44 1.644 . . . . 10.0 115.44 -170.664 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -95.69 165.02 12.52 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.383 -0.826 . . . . 10.0 112.587 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.861 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -59.99 157.55 30.44 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 118.806 0.73 . . . . 10.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.686 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 92.4 Cg_endo -75.98 68.7 6.47 Favored 'Trans proline' 0 CA--C 1.514 -0.483 0 C-N-CA 122.68 2.253 . . . . 10.0 109.329 177.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 27' ' ' LEU . 12.4 mt -50.83 -35.18 31.01 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 124.494 2.092 . . . . 10.0 115.113 -177.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 p -89.84 -1.66 58.04 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 109.304 -3.589 . . . . 10.0 113.231 -176.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.452 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.06 58.58 39.19 Favored Pre-proline 0 N--CA 1.447 -0.622 0 N-CA-C 106.127 -1.805 . . . . 10.0 106.127 175.566 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.509 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 7.3 Cg_endo -47.87 -53.44 6.6 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.766 2.977 . . . . 10.0 115.579 -174.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.8 -46.7 64.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.319 0.58 . . . . 10.0 109.69 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.455 HD22 ' O ' ' A' ' 32' ' ' LEU . 1.4 tm? -71.14 -32.13 68.59 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.268 -1.012 . . . . 10.0 108.268 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.861 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 49.9 t -63.24 -37.58 87.8 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 107.232 -1.395 . . . . 10.0 107.232 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -25.65 66.27 Favored 'General case' 0 N--CA 1.428 -1.528 0 N-CA-C 113.52 0.933 . . . . 10.0 113.52 -176.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.461 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -75.24 -23.62 57.56 Favored 'General case' 0 CA--C 1.491 -1.292 0 C-N-CA 116.643 -2.023 . . . . 10.0 109.21 179.554 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.645 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.4 m0 -57.5 -30.3 65.01 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 105.856 -1.905 . . . . 10.0 105.856 178.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -54.79 -48.62 72.51 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 123.418 1.58 . . . . 10.0 110.005 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.45 -35.71 63.29 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 110.647 -2.979 . . . . 10.0 112.5 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.63 -15.18 38.02 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.616 -0.434 . . . . 10.0 110.985 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 36' ' ' TRP . 15.3 t -92.32 35.49 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 107.268 -1.382 . . . . 10.0 107.268 173.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.3 14.33 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 115.707 1.743 . . . . 10.0 115.707 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.421 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -97.14 148.06 23.43 Favored 'General case' 0 C--N 1.314 -0.947 0 O-C-N 121.47 -0.769 . . . . 10.0 111.313 -179.854 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -56.22 -42.6 77.53 Favored 'General case' 0 CA--C 1.517 -0.291 0 O-C-N 123.69 0.619 . . . . 10.0 109.986 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -79.69 63.87 4.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.022 -0.99 . . . . 10.0 109.681 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.513 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 12.6 t80 -62.78 117.87 6.92 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.205 -1.035 . . . . 10.0 108.205 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.569 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -59.38 -173.3 0.04 OUTLIER Pre-proline 0 C--O 1.218 -0.586 0 CA-C-N 114.835 -1.075 . . . . 10.0 110.936 179.161 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.789 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 86.1 Cg_exo -46.79 176.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.656 1.571 . . . . 10.0 112.07 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.475 ' HB ' ' HE3' ' A' ' 49' ' ' LYS . 23.7 p -96.92 161.46 13.83 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 102.854 -3.017 . . . . 10.0 102.854 172.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.594 ' HE2' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -27.23 -16.44 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 O-C-N 127.773 3.171 . . . . 10.0 118.083 175.352 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 48' ' ' THR . 56.4 m-85 -75.49 -28.94 59.4 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 104.359 -2.46 . . . . 10.0 104.359 173.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.789 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 5.7 p -65.61 173.86 2.56 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 120.738 1.608 . . . . 10.0 108.624 172.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.62 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -112.21 164.45 13.19 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.108 -0.951 . . . . 10.0 110.502 -179.152 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.62 HD12 ' C ' ' A' ' 52' ' ' SER . 3.4 mp -132.65 159.25 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.942 1.297 . . . . 10.0 108.455 -176.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.565 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 15.2 p -105.53 156.31 18.35 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 119.735 1.152 . . . . 10.0 111.917 179.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.708 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.4 p -52.62 -40.79 63.11 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 118.684 2.846 . . . . 10.0 118.684 -173.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.536 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -53.51 -15.31 1.05 Allowed 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 114.399 1.259 . . . . 10.0 114.399 -177.025 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.586 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 90.9 m-70 -86.23 -16.36 37.93 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 114.659 1.355 . . . . 10.0 114.659 -177.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.496 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -135.95 137.07 40.94 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-N 118.288 0.495 . . . . 10.0 110.921 -178.483 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 p -41.0 137.27 1.5 Allowed Pre-proline 0 N--CA 1.43 -1.456 0 O-C-N 124.83 1.331 . . . . 10.0 110.901 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.517 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.6 Cg_endo -50.54 -28.18 21.12 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 122.771 2.314 . . . . 10.0 111.765 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.533 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 5.3 m-20 -61.16 -49.84 75.59 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 113.84 -1.527 . . . . 10.0 107.191 174.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.695 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -87.9 6.57 34.97 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 114.003 1.112 . . . . 10.0 114.003 -173.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.525 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 0.6 OUTLIER -39.07 -58.32 1.15 Allowed 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.587 0.958 . . . . 10.0 113.587 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.411 ' HG3' ' OE1' ' A' ' 66' ' ' GLU . 11.7 pttp -176.35 -135.58 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 1.6 ptm180 -62.18 -13.69 30.01 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.468 0.544 . . . . 10.0 112.468 -178.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.411 ' OE1' ' HG3' ' A' ' 64' ' ' LYS . 41.2 mp0 -84.24 6.93 20.84 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 178.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.74 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 3.9 t -67.84 -116.98 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.115 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.457 ' N ' ' OG ' ' A' ' 67' ' ' SER . 1.3 m-20 -103.09 -69.84 0.78 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -89.56 -72.3 0.56 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.621 0.6 . . . . 10.0 112.621 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 14.4 tppt? -146.4 -20.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.401 0.519 . . . . 10.0 112.401 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.983 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -124.42 -159.56 0.88 Allowed 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 108.834 -0.802 . . . . 10.0 108.834 -179.771 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.983 HD12 HD13 ' A' ' 71' ' ' LEU . 1.2 mp -62.54 -172.0 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 122.422 1.106 . . . . 10.0 110.041 -176.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.645 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 5.3 mmmm -87.34 102.15 14.24 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 102.928 -2.99 . . . . 10.0 102.928 170.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.452 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -53.08 -3.87 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 115.519 1.674 . . . . 10.0 115.519 -178.186 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -107.33 18.83 21.13 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 114.794 -1.094 . . . . 10.0 109.92 175.603 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.12 143.71 30.53 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 123.61 1.671 . . . . 10.0 109.6 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.462 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -147.61 148.28 30.36 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 110.839 -2.892 . . . . 10.0 107.665 -179.115 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.586 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 1.7 Cg_endo -43.95 118.28 1.53 Allowed 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 123.398 2.732 . . . . 10.0 107.486 177.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.17 -9.24 7.62 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 112.988 -1.914 . . . . 10.0 109.052 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.432 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.7 OUTLIER -96.2 7.61 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-N 115.282 -0.872 . . . . 10.0 110.817 -176.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.49 ' HA ' ' ND1' ' A' ' 57' ' ' HIS . 1.3 m-30 -39.91 -52.89 2.38 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 113.891 1.071 . . . . 10.0 113.891 -177.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 120.712 0.291 . . . . 10.0 110.779 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 . . . . . 0 N--CA 1.448 -0.572 0 N-CA-C 107.581 -1.266 . . . . 10.0 107.581 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.573 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER 179.28 169.78 1.0 Allowed 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.324 -0.853 . . . . 10.0 110.077 177.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.6 m -78.39 163.32 25.75 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 106.722 -1.584 . . . . 10.0 106.722 -176.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.691 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 29.3 t -74.06 0.57 13.35 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 113.216 -1.811 . . . . 10.0 111.078 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.95 -147.47 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.865 0.84 . . . . 10.0 112.747 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.584 ' CE1' ' HD3' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -116.34 73.58 0.86 Allowed 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 121.187 -0.946 . . . . 10.0 109.937 -177.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.23 32.86 21.91 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.361 -0.836 . . . . 10.0 114.598 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.529 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 24.1 t -89.57 74.12 7.67 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.034 0.445 . . . . 10.0 112.103 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.573 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 22.7 mmtt -71.91 63.73 0.48 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.843 -1.169 . . . . 10.0 107.843 176.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -92.33 26.1 2.7 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 121.846 -0.534 . . . . 10.0 111.303 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -23.26 133.7 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.266 0 O-C-N 124.86 1.35 . . . . 10.0 111.569 -179.528 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -35.6 108.79 0.07 Allowed 'General case' 0 C--N 1.351 0.659 0 CA-C-O 121.738 0.78 . . . . 10.0 112.547 -176.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.457 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 13.7 t0 -133.29 106.76 7.73 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 105.986 -1.857 . . . . 10.0 105.986 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -62.77 -16.26 57.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.425 -1.262 . . . . 10.0 111.521 -178.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.452 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.8 OUTLIER -73.84 -23.84 59.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.005 -0.998 . . . . 10.0 108.633 179.539 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.491 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -102.97 150.74 38.09 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 114.688 -1.142 . . . . 10.0 108.005 179.369 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -91.1 75.21 0.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.535 0 N-CA-C 116.116 1.544 . . . . 10.0 116.116 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.491 HG13 ' HG3' ' A' ' 18' ' ' LYS . 2.4 m -144.12 146.17 20.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 O-C-N 121.351 -0.843 . . . . 10.0 111.589 177.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.97 168.03 9.4 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.497 -0.774 . . . . 10.0 108.979 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -117.1 102.31 9.2 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 117.772 2.508 . . . . 10.0 117.772 -176.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.661 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -108.19 163.14 13.43 Favored 'General case' 0 C--O 1.198 -1.649 0 N-CA-C 115.286 1.587 . . . . 10.0 115.286 -171.365 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -96.0 164.83 12.54 Favored 'General case' 0 C--N 1.311 -1.101 0 C-N-CA 119.415 -0.914 . . . . 10.0 111.173 177.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.922 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.08 158.88 12.12 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 118.981 0.81 . . . . 10.0 110.157 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.673 ' HB3' HD13 ' A' ' 72' ' ' LEU . 60.3 Cg_endo -79.08 68.04 8.4 Favored 'Trans proline' 0 N--CA 1.474 0.34 0 C-N-CA 122.856 2.371 . . . . 10.0 108.158 177.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.511 HD21 ' HG3' ' A' ' 49' ' ' LYS . 10.2 mt -49.29 -38.73 28.39 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 112.83 -1.987 . . . . 10.0 115.697 -176.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.5 p -86.73 -1.08 57.44 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 109.164 -3.653 . . . . 10.0 113.62 -175.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.525 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -128.04 59.29 39.08 Favored Pre-proline 0 N--CA 1.446 -0.627 0 N-CA-C 105.453 -2.054 . . . . 10.0 105.453 174.622 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -47.09 -55.68 3.7 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.736 2.957 . . . . 10.0 115.45 -173.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.79 -47.74 51.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.267 0.556 . . . . 10.0 110.088 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.496 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . 1.4 tm? -69.9 -33.96 72.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.155 -0.929 . . . . 10.0 108.57 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.922 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 10.7 t -61.91 -38.43 88.37 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 106.894 -1.521 . . . . 10.0 106.894 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -69.18 -24.09 64.01 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 113.709 1.003 . . . . 10.0 113.709 -175.481 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -75.3 -22.04 58.01 Favored 'General case' 0 CA--C 1.484 -1.583 0 C-N-CA 116.054 -2.258 . . . . 10.0 108.864 179.162 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.728 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.5 m0 -56.41 -29.09 61.12 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 106.117 -1.808 . . . . 10.0 106.117 177.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -53.62 -49.4 67.92 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 123.772 1.749 . . . . 10.0 110.237 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.17 -33.74 63.24 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 110.411 -3.086 . . . . 10.0 112.649 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.62 -14.92 38.76 Favored 'General case' 0 C--N 1.309 -1.191 0 C-N-CA 119.602 -0.839 . . . . 10.0 109.707 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 36' ' ' TRP . 18.0 t -90.67 34.72 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 1.017 0 CA-C-O 122.691 1.234 . . . . 10.0 108.01 175.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.03 13.35 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 114.366 -1.288 . . . . 10.0 114.194 -177.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.584 ' HD3' ' CE1' ' A' ' 8' ' ' TYR . 12.4 tpt180 -76.89 142.27 40.21 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -52.97 -57.77 9.22 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.977 0.418 . . . . 10.0 110.175 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.71 69.21 9.44 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.665 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -49.89 121.18 5.02 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 114.871 -1.059 . . . . 10.0 109.433 178.02 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.691 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -61.31 -171.27 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.175 -0.92 . . . . 10.0 110.582 178.471 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.745 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 79.6 Cg_exo -44.95 176.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.352 2.035 . . . . 10.0 113.036 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.419 ' HB ' ' HE3' ' A' ' 49' ' ' LYS . 43.2 p -83.69 -153.63 0.14 Allowed 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 103.238 -2.875 . . . . 10.0 103.238 172.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.633 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -89.97 -3.45 58.0 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 112.455 -2.157 . . . . 10.0 114.224 -173.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -77.58 -31.1 52.88 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 105.383 -2.08 . . . . 10.0 105.383 174.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.745 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 14.2 p -63.44 172.35 2.06 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 117.926 -1.51 . . . . 10.0 109.032 174.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.663 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -109.52 159.1 17.35 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.221 -1.354 . . . . 10.0 109.913 -178.702 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.663 HD12 ' C ' ' A' ' 52' ' ' SER . 2.1 mp -128.63 159.2 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 108.063 -1.088 . . . . 10.0 108.063 -176.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.561 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 16.4 p -105.74 157.72 17.24 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-N 119.345 0.975 . . . . 10.0 111.25 178.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.661 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.3 p -54.24 -39.33 66.69 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 118.834 2.902 . . . . 10.0 118.834 -173.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.561 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -54.98 -14.87 1.65 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 114.384 1.253 . . . . 10.0 114.384 -176.366 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.435 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 87.4 m-70 -84.48 -16.68 41.63 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 114.651 1.352 . . . . 10.0 114.651 -177.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.586 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -127.41 174.65 8.83 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 -178.706 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.43 140.78 52.31 Favored Pre-proline 0 N--CA 1.428 -1.545 0 N-CA-C 108.972 -0.751 . . . . 10.0 108.972 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.697 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 8.2 Cg_endo -49.96 -32.04 29.26 Favored 'Trans proline' 0 C--N 1.329 -0.482 0 C-N-CA 123.328 2.686 . . . . 10.0 112.291 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.539 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 4.4 m-20 -57.91 -47.39 82.97 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.12 -1.4 . . . . 10.0 109.207 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.534 ' CB ' ' HG2' ' A' ' 73' ' ' LYS . 1.4 t -92.76 4.54 53.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 113.79 -1.55 . . . . 10.0 113.872 -174.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.697 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -39.05 -52.8 1.83 Allowed 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 114.301 1.223 . . . . 10.0 114.301 -179.739 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -175.3 -140.61 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.361 0.874 . . . . 10.0 113.361 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.424 ' HG3' ' OE1' ' A' ' 66' ' ' GLU . 1.6 ptm180 -59.86 -8.54 2.24 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 -178.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.424 ' OE1' ' HG3' ' A' ' 65' ' ' ARG . 1.1 mp0 -90.63 5.52 47.62 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.18 -0.304 . . . . 10.0 110.18 178.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.832 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 5.5 t -68.49 -115.11 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.854 0 CA-C-O 120.813 0.34 . . . . 10.0 110.809 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.443 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -98.93 -70.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.943 -0.473 . . . . 10.0 111.744 -178.793 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -88.64 -74.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.366 -0.534 . . . . 10.0 112.261 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.423 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 12.1 tppt? -148.45 -1.24 0.54 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.45 0.643 . . . . 10.0 111.004 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.832 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -140.55 -161.58 1.22 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 118.209 -0.9 . . . . 10.0 109.217 -178.675 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.774 HD12 HD13 ' A' ' 71' ' ' LEU . 4.0 mp -63.13 -175.7 0.11 Allowed 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 122.57 1.176 . . . . 10.0 110.933 -176.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.746 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -88.36 106.2 18.09 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 104.391 -2.448 . . . . 10.0 104.391 171.119 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.525 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -50.82 -4.14 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 116.09 1.885 . . . . 10.0 116.09 -177.724 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.402 ' H ' ' C ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -106.74 14.06 27.26 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.473 -0.785 . . . . 10.0 110.974 175.58 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.48 141.71 39.42 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 123.722 1.725 . . . . 10.0 110.137 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.512 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -147.45 147.91 29.61 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 110.566 -3.015 . . . . 10.0 108.379 -178.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.512 ' HD2' HG23 ' A' ' 77' ' ' VAL . 2.1 Cg_endo -46.27 120.72 3.92 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 123.883 3.055 . . . . 10.0 108.875 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.0 t -125.26 -10.44 6.99 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 113.454 -1.703 . . . . 10.0 110.133 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.415 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.9 OUTLIER -90.0 6.16 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 115.591 -0.731 . . . . 10.0 111.321 -176.23 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.586 ' HE2' HG22 ' A' ' 40' ' ' VAL . 2.9 m-30 -41.06 -54.15 2.88 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.099 1.148 . . . . 10.0 114.099 -177.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.557 -0.534 . . . . 10.0 109.557 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.423 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -179.17 167.4 1.55 Allowed 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 178.766 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.63 166.27 23.22 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 107.454 -1.313 . . . . 10.0 107.454 -175.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.523 ' HA ' ' HB3' ' A' ' 46' ' ' LYS . 28.2 t -70.52 -1.11 9.94 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 112.106 -2.315 . . . . 10.0 111.255 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.76 -147.93 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 122.038 0.923 . . . . 10.0 110.905 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 11.7 p90 -147.25 74.66 1.34 Allowed 'General case' 0 N--CA 1.442 -0.859 0 O-C-N 121.142 -0.974 . . . . 10.0 109.389 178.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.06 -0.62 9.05 Favored Glycine 0 N--CA 1.439 -1.155 0 C-N-CA 120.06 -1.067 . . . . 10.0 113.838 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.541 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 41.8 t -92.43 75.14 5.21 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 114.047 1.129 . . . . 10.0 114.047 -178.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 69.4 mttt -74.47 68.57 1.59 Allowed 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 106.688 -1.597 . . . . 10.0 106.688 175.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.426 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 1.5 m-20 -90.23 30.15 1.15 Allowed 'General case' 0 C--N 1.321 -0.646 0 O-C-N 121.524 -0.735 . . . . 10.0 112.645 -178.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -24.67 139.97 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 O-C-N 124.902 1.376 . . . . 10.0 112.698 -179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.49 111.56 0.35 Allowed 'General case' 0 C--N 1.345 0.408 0 CA-C-O 122.243 1.02 . . . . 10.0 110.586 -177.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.419 ' CB ' ' HD2' ' A' ' 18' ' ' LYS . 1.2 t0 -139.57 108.92 6.13 Favored 'General case' 0 N--CA 1.434 -1.225 0 N-CA-C 105.168 -2.16 . . . . 10.0 105.168 177.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -58.08 -20.77 42.24 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.13 -0.941 . . . . 10.0 111.167 179.784 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.439 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 3.2 m-20 -65.84 -26.34 67.62 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.519 -1.218 . . . . 10.0 109.753 178.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HD2' ' CB ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -104.95 147.04 33.82 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 107.883 -1.155 . . . . 10.0 107.883 178.699 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -88.15 75.2 1.99 Allowed 'Trans proline' 0 N--CA 1.46 -0.495 0 N-CA-C 115.123 1.163 . . . . 10.0 115.123 -177.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.5 142.76 26.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 119.913 -0.715 . . . . 10.0 112.045 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -104.95 166.87 10.09 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 114.901 -1.045 . . . . 10.0 108.339 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -118.4 103.04 9.4 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 116.764 2.135 . . . . 10.0 116.764 -177.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.742 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.51 162.85 13.57 Favored 'General case' 0 C--O 1.193 -1.873 0 N-CA-C 115.078 1.51 . . . . 10.0 115.078 -170.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -96.17 165.52 12.19 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 119.389 -0.924 . . . . 10.0 112.007 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.871 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -60.94 157.89 37.68 Favored Pre-proline 0 N--CA 1.47 0.574 0 CA-C-N 119.438 1.017 . . . . 10.0 110.967 178.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.612 ' HB3' HD13 ' A' ' 72' ' ' LEU . 53.8 Cg_endo -78.77 67.49 8.45 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.127 2.551 . . . . 10.0 109.037 178.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.628 HD21 ' HG3' ' A' ' 49' ' ' LYS . 14.9 mt -52.13 -34.51 44.82 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 124.335 2.017 . . . . 10.0 115.585 -176.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 p -84.98 -1.01 56.26 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 109.472 -3.513 . . . . 10.0 113.193 -175.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.572 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 5.7 ttm180 -134.66 64.37 63.1 Favored Pre-proline 0 N--CA 1.44 -0.949 0 N-CA-C 105.997 -1.853 . . . . 10.0 105.997 174.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.531 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.6 Cg_endo -48.84 -51.84 9.73 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 123.213 2.609 . . . . 10.0 114.472 -176.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -50.85 -47.62 60.27 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 -179.606 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.572 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 2.0 tm? -70.24 -33.72 71.98 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.479 -0.934 . . . . 10.0 108.479 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.871 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 50.3 t -61.71 -38.12 86.69 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 107.91 -1.145 . . . . 10.0 107.91 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -66.47 -27.51 67.86 Favored 'General case' 0 N--CA 1.422 -1.844 0 CA-C-N 114.591 -1.186 . . . . 10.0 113.484 -176.095 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.439 ' HG2' ' H ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER -74.84 -23.21 58.41 Favored 'General case' 0 CA--C 1.493 -1.222 0 C-N-CA 115.767 -2.373 . . . . 10.0 109.109 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.707 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.9 m0 -56.22 -31.94 63.96 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 105.663 -1.977 . . . . 10.0 105.663 177.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -54.47 -48.25 72.0 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 123.675 1.703 . . . . 10.0 110.635 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.09 -36.05 62.75 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 110.728 -2.942 . . . . 10.0 112.151 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.98 -14.49 36.46 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 119.792 -0.763 . . . . 10.0 110.861 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 36' ' ' TRP . 19.4 t -91.34 30.89 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 N-CA-C 107.914 -1.143 . . . . 10.0 107.914 175.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.53 13.88 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.485 1.291 . . . . 10.0 114.485 -178.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 14.1 tpt180 -81.31 151.23 28.13 Favored 'General case' 0 C--N 1.31 -1.141 0 O-C-N 121.985 -0.447 . . . . 10.0 111.112 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.543 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 15.3 ttpp -75.89 158.9 31.51 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 105.707 -1.96 . . . . 10.0 105.707 174.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.478 ' OD1' ' HG2' ' A' ' 43' ' ' LYS . 31.6 m-20 65.27 30.0 11.42 Favored 'General case' 0 N--CA 1.435 -1.222 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.638 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -29.09 124.96 0.12 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.856 1.263 . . . . 10.0 111.303 178.606 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.638 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 1.1 mttp -58.39 -173.14 0.04 OUTLIER Pre-proline 0 C--O 1.216 -0.669 0 C-N-CA 124.465 1.106 . . . . 10.0 111.063 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.783 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 87.8 Cg_exo -45.32 175.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 C-N-CA 122.495 2.13 . . . . 10.0 112.858 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 50' ' ' TYR . 13.9 p -101.76 159.74 15.07 Favored 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 102.772 -3.047 . . . . 10.0 102.772 172.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.628 ' HG3' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -25.86 -17.85 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 O-C-N 128.046 3.341 . . . . 10.0 118.032 175.627 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 48' ' ' THR . 81.0 m-85 -74.84 -27.31 60.22 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 104.619 -2.363 . . . . 10.0 104.619 173.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.783 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 4.1 p -67.4 173.06 4.28 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 120.59 1.541 . . . . 10.0 109.268 172.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.529 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -110.3 161.0 16.05 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 114.985 -1.007 . . . . 10.0 109.266 -179.756 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.529 HD12 ' C ' ' A' ' 52' ' ' SER . 3.3 mp -129.34 157.15 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 124.646 1.178 . . . . 10.0 108.432 -175.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.55 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 21.2 p -106.46 151.29 25.14 Favored 'General case' 0 CA--C 1.554 1.101 0 CA-C-N 120.046 1.294 . . . . 10.0 112.938 179.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.742 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 49.9 p -39.17 -49.7 1.86 Allowed 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 118.734 2.864 . . . . 10.0 118.734 -174.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.55 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -50.09 -16.37 0.29 Allowed 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 114.899 1.444 . . . . 10.0 114.899 -175.484 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.562 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 84.2 m-70 -85.82 -17.02 36.85 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 114.061 1.134 . . . . 10.0 114.061 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.575 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -133.82 132.86 40.92 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 118.727 0.694 . . . . 10.0 111.689 -179.397 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p -40.38 137.59 1.28 Allowed Pre-proline 0 N--CA 1.434 -1.272 0 O-C-N 124.865 1.353 . . . . 10.0 110.621 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.626 ' O ' ' HB2' ' A' ' 63' ' ' PHE . 8.9 Cg_endo -49.51 -27.94 15.29 Favored 'Trans proline' 0 C--N 1.323 -0.795 0 C-N-CA 123.067 2.512 . . . . 10.0 111.831 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.47 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -61.64 -51.22 69.36 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 113.49 -1.686 . . . . 10.0 107.588 174.8 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.621 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -88.03 6.54 35.59 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 113.612 0.967 . . . . 10.0 113.612 -174.296 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.626 ' HB2' ' O ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -37.69 -61.39 0.63 Allowed 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 113.958 -1.474 . . . . 10.0 114.34 179.637 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.564 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -175.97 -131.72 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 117.823 0.283 . . . . 10.0 111.581 -178.442 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.593 ' HA ' ' C ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -61.7 -20.9 63.98 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.15 0.5 . . . . 10.0 110.886 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -81.96 5.91 17.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.631 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.784 ' OG ' ' HD2' ' A' ' 73' ' ' LYS . 1.4 t -72.35 -95.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.016 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.424 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.4 OUTLIER -100.98 -71.14 0.72 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.213 0.53 . . . . 10.0 110.023 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -111.14 -64.64 1.25 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.559 -0.746 . . . . 10.0 111.771 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.593 ' C ' ' HA ' ' A' ' 65' ' ' ARG . 13.0 ttmm -146.21 1.99 0.86 Allowed 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 111.801 0.297 . . . . 10.0 111.801 -178.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.911 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -146.4 -170.84 3.6 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.766 -0.635 . . . . 10.0 110.053 179.527 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.911 HD12 HD13 ' A' ' 71' ' ' LEU . 2.1 mp -61.74 -177.35 0.11 Allowed 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 122.56 1.171 . . . . 10.0 110.815 -174.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.784 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -88.84 108.68 19.65 Favored 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 104.558 -2.386 . . . . 10.0 104.558 172.177 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -51.49 -5.16 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 115.329 1.604 . . . . 10.0 115.329 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.409 ' H ' ' C ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -110.43 18.05 20.19 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.213 -0.903 . . . . 10.0 110.671 176.007 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.51 145.34 32.49 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 123.894 1.806 . . . . 10.0 110.718 -177.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.47 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -150.84 148.99 24.37 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 110.306 -3.134 . . . . 10.0 107.757 -178.026 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.562 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 2.2 Cg_endo -43.93 120.39 2.38 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 123.51 2.807 . . . . 10.0 108.444 178.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 t -123.0 -10.65 8.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 113.418 -1.719 . . . . 10.0 109.363 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.49 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.8 OUTLIER -91.49 7.07 4.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 115.068 -0.969 . . . . 10.0 112.508 -176.096 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.497 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 3.9 m-30 -40.49 -53.72 2.61 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.311 0.856 . . . . 10.0 113.311 -177.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.581 ' HB2' ' CE1' ' A' ' 8' ' ' TYR . 7.5 mt . . . . . 0 CA--C 1.517 -0.3 0 O-C-N 123.297 0.373 . . . . 10.0 110.128 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 . . . . . 0 N--CA 1.447 -0.579 0 N-CA-C 110.443 -0.206 . . . . 10.0 110.443 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.596 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER 178.87 170.27 0.87 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 120.875 0.369 . . . . 10.0 111.3 178.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.34 167.73 16.27 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 107.613 -1.254 . . . . 10.0 107.613 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.671 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 8.2 t -74.46 2.32 9.81 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 112.859 -1.973 . . . . 10.0 111.832 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.79 -152.29 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 122.181 0.991 . . . . 10.0 112.956 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.458 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 1.4 t80 -109.02 67.27 0.65 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 -178.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.41 35.17 12.38 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 120.738 -0.744 . . . . 10.0 113.528 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.53 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 8.3 t -85.99 76.45 9.82 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 117.614 0.707 . . . . 10.0 112.563 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.596 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 29.4 mmtp -73.29 62.83 0.71 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.855 -0.794 . . . . 10.0 108.855 176.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.445 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER -89.65 30.3 1.05 Allowed 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.72 -0.613 . . . . 10.0 111.64 -179.125 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -23.97 135.72 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 O-C-N 124.902 1.376 . . . . 10.0 112.145 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.52 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -44.68 111.72 0.34 Allowed 'General case' 0 C--N 1.35 0.628 0 CA-C-O 122.152 0.977 . . . . 10.0 111.126 -177.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.585 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 0.9 OUTLIER -140.58 111.28 6.89 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 105.474 -2.047 . . . . 10.0 105.474 178.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -61.03 -21.2 63.38 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.973 -1.012 . . . . 10.0 112.013 -178.36 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.585 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 1.5 m-20 -68.35 -22.09 64.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.626 -1.17 . . . . 10.0 109.692 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.55 138.76 19.68 Favored Pre-proline 0 C--N 1.315 -0.925 0 N-CA-C 107.923 -1.14 . . . . 10.0 107.923 177.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -84.92 76.36 3.3 Favored 'Trans proline' 0 C--O 1.238 0.484 0 C-N-CA 121.58 1.52 . . . . 10.0 116.015 -176.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.407 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 3.4 m -144.41 143.1 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.581 0.705 . . . . 10.0 111.797 178.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.59 168.68 9.12 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 114.663 -1.153 . . . . 10.0 107.918 177.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.52 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -118.66 102.56 8.95 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 117.331 2.345 . . . . 10.0 117.331 -177.266 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.717 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -106.13 159.63 15.94 Favored 'General case' 0 C--O 1.195 -1.792 0 N-CA-C 114.827 1.417 . . . . 10.0 114.827 -170.876 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 34.4 mtpt -95.03 164.46 12.88 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 114.985 -1.007 . . . . 10.0 111.418 178.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.823 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -57.8 156.47 18.32 Favored Pre-proline 0 C--N 1.318 -0.791 0 CA-C-N 118.067 0.394 . . . . 10.0 110.915 -179.748 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.554 ' HB3' HD13 ' A' ' 72' ' ' LEU . 51.9 Cg_endo -78.48 67.58 8.27 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.818 2.345 . . . . 10.0 108.519 178.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 27' ' ' LEU . 18.2 mt -49.42 -38.78 30.34 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 112.486 -2.143 . . . . 10.0 115.756 -177.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 p -88.09 0.64 55.74 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 109.884 -3.325 . . . . 10.0 112.587 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.432 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -127.5 56.51 19.85 Favored Pre-proline 0 N--CA 1.439 -0.997 0 N-CA-C 105.858 -1.904 . . . . 10.0 105.858 175.067 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.579 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 9.2 Cg_endo -48.36 -53.58 6.57 Favored 'Trans proline' 0 C--O 1.219 -0.454 0 C-N-CA 123.938 3.092 . . . . 10.0 115.362 -174.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -52.85 -45.81 67.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.499 0.666 . . . . 10.0 109.291 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.465 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 2.2 tm? -70.54 -31.92 69.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.406 -1.27 . . . . 10.0 108.97 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.823 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 44.0 t -63.95 -36.83 85.24 Favored 'General case' 0 CA--C 1.502 -0.893 0 N-CA-C 107.293 -1.373 . . . . 10.0 107.293 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -66.56 -27.41 67.71 Favored 'General case' 0 N--CA 1.421 -1.888 0 CA-C-N 115.018 -0.992 . . . . 10.0 113.515 -176.44 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.467 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -74.81 -22.27 58.82 Favored 'General case' 0 CA--C 1.497 -1.074 0 C-N-CA 116.044 -2.263 . . . . 10.0 108.785 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.701 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.8 m0 -58.82 -29.87 67.21 Favored 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 106.118 -1.808 . . . . 10.0 106.118 178.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -55.39 -48.43 74.33 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 123.544 1.64 . . . . 10.0 109.338 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -55.09 -34.44 63.64 Favored 'General case' 0 C--N 1.361 1.108 0 CA-C-N 110.593 -3.003 . . . . 10.0 112.001 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.439 ' O ' ' HD2' ' A' ' 81' ' ' PHE . . . -87.23 -15.21 38.87 Favored 'General case' 0 C--N 1.309 -1.179 0 C-N-CA 120.582 -0.447 . . . . 10.0 110.266 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 36' ' ' TRP . 18.5 t -91.51 44.06 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 107.741 -1.207 . . . . 10.0 107.741 174.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.31 12.12 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.292 1.219 . . . . 10.0 114.292 -178.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.479 ' CZ ' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -76.58 137.43 39.53 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 179.323 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' H ' ' CZ ' ' A' ' 42' ' ' ARG . 36.4 tttt -54.69 -52.6 61.89 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 108.863 -0.792 . . . . 10.0 108.863 178.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.471 ' OD1' ' HG3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -82.49 66.78 8.25 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.288 -0.869 . . . . 10.0 108.839 178.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.641 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 5.6 t80 -47.17 126.12 8.78 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.247 -0.888 . . . . 10.0 109.425 178.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.671 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.3 OUTLIER -61.92 -172.23 0.05 OUTLIER Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 114.836 -1.074 . . . . 10.0 110.834 178.828 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.783 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 80.8 Cg_exo -46.39 176.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 122.117 1.878 . . . . 10.0 111.83 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.4 p -81.74 -153.02 0.1 Allowed 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 103.382 -2.822 . . . . 10.0 103.382 173.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.497 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.46 -3.26 57.78 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 112.061 -2.336 . . . . 10.0 114.219 -174.077 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -77.88 -31.77 51.5 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 105.391 -2.077 . . . . 10.0 105.391 173.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.783 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 9.4 p -62.43 172.32 1.59 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 120.606 1.548 . . . . 10.0 109.55 175.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.646 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -110.31 160.81 16.22 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.076 -1.42 . . . . 10.0 109.764 -178.577 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.646 HD12 ' C ' ' A' ' 52' ' ' SER . 2.9 mp -130.36 157.11 42.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 114.159 -1.382 . . . . 10.0 107.578 -175.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.539 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 15.9 p -107.65 155.17 20.45 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 120.185 1.357 . . . . 10.0 111.969 178.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.717 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 2.2 p -48.46 -39.16 21.91 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 119.024 2.972 . . . . 10.0 119.024 -172.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.539 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -54.85 -16.05 2.37 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 114.427 1.269 . . . . 10.0 114.427 -176.087 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.559 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 88.3 m-70 -85.67 -16.85 37.77 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 114.535 1.309 . . . . 10.0 114.535 -177.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.57 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -138.73 137.16 36.49 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-N 118.361 0.528 . . . . 10.0 111.353 -178.501 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.8 p -42.58 139.12 2.04 Favored Pre-proline 0 N--CA 1.434 -1.272 0 O-C-N 124.689 1.243 . . . . 10.0 111.72 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.669 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.5 Cg_endo -50.31 -28.61 21.06 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 122.733 2.288 . . . . 10.0 112.136 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.491 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 0.8 OUTLIER -60.48 -50.76 72.27 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 113.51 -1.677 . . . . 10.0 107.436 174.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.598 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -90.76 7.21 40.8 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 113.865 1.061 . . . . 10.0 113.865 -174.531 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.669 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -40.72 -59.49 1.38 Allowed 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 113.97 1.1 . . . . 10.0 113.97 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.9 pttt -175.83 -136.54 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -177.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -59.59 -13.72 10.53 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.333 0.653 . . . . 10.0 112.55 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -85.37 5.74 29.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.785 0.326 . . . . 10.0 110.619 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.823 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 9.0 t -68.01 -114.05 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.938 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.4 ' N ' ' OG ' ' A' ' 67' ' ' SER . 1.1 m120 -102.81 -75.08 0.62 Allowed 'General case' 0 C--N 1.321 -0.653 0 O-C-N 122.027 -0.421 . . . . 10.0 112.102 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -82.83 -74.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.794 -0.362 . . . . 10.0 111.774 -177.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -149.9 -2.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.917 0.389 . . . . 10.0 111.932 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.823 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -139.44 -163.82 1.56 Allowed 'General case' 0 C--O 1.213 -0.856 0 CA-C-O 118.277 -0.868 . . . . 10.0 109.297 -179.111 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.67 ' H ' HD12 ' A' ' 72' ' ' LEU . 3.4 mp -62.73 -173.47 0.05 Allowed 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 122.396 1.093 . . . . 10.0 109.936 -175.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.589 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -87.79 101.98 14.22 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 104.482 -2.414 . . . . 10.0 104.482 170.721 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.465 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -49.72 -4.27 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 116.261 1.949 . . . . 10.0 116.261 -177.119 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -106.82 14.46 26.66 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.212 175.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.414 ' HB3' ' OG ' ' A' ' 62' ' ' SER . . . -140.73 146.46 37.77 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 123.595 1.664 . . . . 10.0 110.954 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.467 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -147.16 149.84 36.39 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 111.076 -2.783 . . . . 10.0 109.312 -177.605 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.562 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 2.1 Cg_endo -45.9 122.78 5.46 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 123.148 2.565 . . . . 10.0 107.437 176.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.01 -10.55 7.14 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 113.961 -1.472 . . . . 10.0 109.757 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.446 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -93.29 6.56 6.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 115.593 -0.731 . . . . 10.0 111.178 -175.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.451 ' HA ' ' ND1' ' A' ' 57' ' ' HIS . 1.7 m-30 -39.06 -45.12 1.21 Allowed 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.938 1.088 . . . . 10.0 113.938 -177.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.458 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 N-CA-C 109.964 -0.384 . . . . 10.0 109.964 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 . . . . . 0 N--CA 1.445 -0.711 0 N-CA-C 108.972 -0.751 . . . . 10.0 108.972 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.661 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 1.1 t -177.63 161.44 1.68 Allowed 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.796 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.635 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 1.6 m -80.5 163.17 23.95 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 107.155 -1.424 . . . . 10.0 107.155 -176.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.617 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -72.67 1.22 8.75 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 112.201 -2.272 . . . . 10.0 112.271 -179.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.13 -149.09 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.764 0.793 . . . . 10.0 111.656 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.57 ' CE2' ' HD3' ' A' ' 42' ' ' ARG . 1.4 t80 -110.88 69.43 0.69 Allowed 'General case' 0 N--CA 1.442 -0.826 0 O-C-N 121.083 -1.01 . . . . 10.0 108.855 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.78 29.96 14.47 Favored Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 114.994 -1.003 . . . . 10.0 114.541 178.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.505 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 44.8 t -83.96 75.54 10.12 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 117.715 0.758 . . . . 10.0 112.119 -179.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.661 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 58.6 mttt -72.06 65.16 0.56 Allowed 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.658 -0.867 . . . . 10.0 108.658 176.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -91.11 27.25 1.92 Allowed 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.65 -0.656 . . . . 10.0 111.634 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -23.68 136.37 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 124.808 1.317 . . . . 10.0 111.71 -179.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.436 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -46.31 109.77 0.22 Allowed 'General case' 0 C--N 1.349 0.569 0 CA-C-O 121.873 0.844 . . . . 10.0 111.287 -176.83 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.63 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 67.1 t0 -133.78 118.31 17.89 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 104.565 -2.383 . . . . 10.0 104.565 176.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HD3' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -62.94 -17.3 61.7 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 114.386 -1.279 . . . . 10.0 110.572 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.439 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -71.46 -27.66 63.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.876 -1.056 . . . . 10.0 109.777 178.577 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -100.85 142.44 24.62 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 114.936 -1.029 . . . . 10.0 108.338 179.507 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 18' ' ' LYS . 25.6 Cg_endo -90.74 77.03 0.72 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 121.76 1.64 . . . . 10.0 115.496 -176.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.441 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 1.6 m -145.31 148.2 17.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-O 121.37 0.605 . . . . 10.0 111.537 179.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 p -103.45 167.86 9.53 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 114.506 -1.224 . . . . 10.0 108.526 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.436 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 1.7 m-85 -121.27 102.05 8.04 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 116.518 2.044 . . . . 10.0 116.518 -177.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.711 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.52 160.17 15.87 Favored 'General case' 0 C--O 1.202 -1.428 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 -171.168 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -94.98 162.0 13.91 Favored 'General case' 0 C--N 1.307 -1.276 0 C-N-CA 119.182 -1.007 . . . . 10.0 111.563 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.848 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.2 m-85 -56.01 157.16 8.83 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 118.79 0.723 . . . . 10.0 110.762 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.612 ' HB3' HD13 ' A' ' 72' ' ' LEU . 65.1 Cg_endo -76.98 66.86 7.65 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.733 2.288 . . . . 10.0 108.871 177.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 27' ' ' LEU . 12.1 mt -50.5 -35.26 28.45 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-O 124.408 2.051 . . . . 10.0 115.215 -176.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.7 p -88.27 -0.81 57.55 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 109.291 -3.595 . . . . 10.0 113.119 -175.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.542 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.82 57.94 35.27 Favored Pre-proline 0 N--CA 1.445 -0.68 0 N-CA-C 105.92 -1.881 . . . . 10.0 105.92 174.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.491 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 3.0 Cg_endo -44.34 -55.8 2.97 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 124.173 3.249 . . . . 10.0 115.733 -175.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 m -50.98 -46.12 61.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.996 0.427 . . . . 10.0 109.949 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.444 ' CB ' ' HD3' ' A' ' 29' ' ' ARG . 1.6 tm? -70.37 -34.87 73.09 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.242 -1.022 . . . . 10.0 108.242 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.848 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 40.1 t -61.9 -37.83 86.06 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 107.099 -1.445 . . . . 10.0 107.099 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.03 -25.85 65.59 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 113.591 0.96 . . . . 10.0 113.591 -175.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.468 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -73.97 -24.12 59.57 Favored 'General case' 0 CA--C 1.493 -1.232 0 C-N-CA 116.418 -2.113 . . . . 10.0 109.272 179.253 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.607 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.2 m0 -57.21 -30.57 64.67 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 106.05 -1.833 . . . . 10.0 106.05 178.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -55.36 -47.56 75.58 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 123.774 1.749 . . . . 10.0 109.972 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -56.15 -34.48 66.19 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 110.419 -3.082 . . . . 10.0 112.451 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.06 -14.5 41.29 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 120.956 0.408 . . . . 10.0 110.635 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 36' ' ' TRP . 22.2 t -91.66 43.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 106.855 -1.535 . . . . 10.0 106.855 173.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.447 ' HD2' ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -56.46 14.21 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 113.485 -1.689 . . . . 10.0 115.477 -177.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.57 ' HD3' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -98.78 142.76 29.91 Favored 'General case' 0 C--N 1.313 -1.013 0 O-C-N 121.3 -0.875 . . . . 10.0 111.593 -179.356 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 2.8 tttt -54.31 -44.05 71.66 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.381 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.47 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -82.85 65.34 7.93 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.234 -0.894 . . . . 10.0 109.913 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.532 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 9.2 t80 -60.85 119.42 8.19 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 114.986 -1.007 . . . . 10.0 109.132 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.635 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -59.94 -172.07 0.04 OUTLIER Pre-proline 0 C--O 1.22 -0.473 0 CA-C-N 114.958 -1.019 . . . . 10.0 110.959 178.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.744 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 99.8 Cg_exo -44.5 175.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.363 1.292 0 C-N-CA 122.138 1.892 . . . . 10.0 111.964 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.484 ' HB ' ' HE3' ' A' ' 49' ' ' LYS . 11.8 p -97.36 161.61 13.71 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 103.29 -2.856 . . . . 10.0 103.29 172.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.576 ' HE2' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -27.77 -17.63 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 O-C-N 127.735 3.147 . . . . 10.0 117.868 175.087 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -73.78 -29.52 62.24 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 104.535 -2.394 . . . . 10.0 104.535 173.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.744 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 6.9 p -65.43 173.13 2.79 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 121.056 1.753 . . . . 10.0 108.797 173.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.617 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -109.65 163.61 13.32 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 114.818 -1.083 . . . . 10.0 110.148 -178.529 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.617 HD12 ' C ' ' A' ' 52' ' ' SER . 3.2 mp -131.79 158.48 43.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 N-CA-C 107.749 -1.204 . . . . 10.0 107.749 -177.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.556 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.3 p -106.36 156.33 18.62 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.778 1.172 . . . . 10.0 111.833 178.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.711 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.4 p -49.98 -40.45 44.24 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 118.294 2.701 . . . . 10.0 118.294 -173.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.533 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -55.13 -15.81 2.54 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 114.344 1.238 . . . . 10.0 114.344 -176.502 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.53 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 95.4 m-70 -85.21 -16.67 39.51 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 114.529 1.307 . . . . 10.0 114.529 -177.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.488 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -138.56 138.82 38.32 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 118.249 0.477 . . . . 10.0 110.956 -178.468 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -43.5 138.14 2.92 Favored Pre-proline 0 N--CA 1.429 -1.486 0 CA-C-N 114.597 -1.183 . . . . 10.0 111.041 179.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.549 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.9 Cg_endo -50.39 -28.39 20.91 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.936 2.424 . . . . 10.0 112.399 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.583 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 1.7 m-20 -60.06 -50.82 72.21 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 106.78 -1.563 . . . . 10.0 106.78 174.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.56 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -88.86 5.87 41.79 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 113.925 1.083 . . . . 10.0 113.925 -174.358 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.549 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -39.52 -56.9 1.55 Allowed 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 113.771 1.026 . . . . 10.0 113.771 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -176.36 -141.35 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -177.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -13.71 5.07 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.391 0.677 . . . . 10.0 112.584 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -82.73 5.8 20.18 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.088 -0.338 . . . . 10.0 110.088 178.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.834 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 3.9 t -70.49 -109.52 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.627 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.405 ' N ' ' OG ' ' A' ' 67' ' ' SER . 1.6 m120 -100.98 -69.13 0.79 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.384 0.513 . . . . 10.0 112.384 -178.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -99.42 -71.02 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.294 0.479 . . . . 10.0 112.294 -178.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -145.91 -2.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.407 0.521 . . . . 10.0 112.407 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.834 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -138.24 -163.95 1.54 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 118.748 -0.644 . . . . 10.0 109.755 -179.609 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.702 HD12 HD13 ' A' ' 71' ' ' LEU . 4.0 mp -64.39 -170.71 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 122.589 1.185 . . . . 10.0 109.534 -177.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.645 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 2.0 mmmm -87.51 102.66 14.79 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 102.595 -3.113 . . . . 10.0 102.595 170.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.542 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 4.6 pt-20 -49.92 -5.04 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 115.916 1.821 . . . . 10.0 115.916 -178.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.01 16.68 21.73 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.868 176.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.38 146.88 38.96 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 123.644 1.688 . . . . 10.0 109.717 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.437 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -148.58 151.01 35.09 Favored Pre-proline 0 N--CA 1.449 -0.482 0 CA-C-N 110.484 -3.053 . . . . 10.0 108.244 -177.583 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.544 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 2.1 Cg_endo -45.46 120.4 3.21 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 123.498 2.798 . . . . 10.0 107.537 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.03 -9.88 8.2 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 113.457 -1.701 . . . . 10.0 108.695 177.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.412 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.7 OUTLIER -94.6 6.74 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-N 115.402 -0.817 . . . . 10.0 111.1 -176.429 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.409 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 1.0 OUTLIER -40.7 -47.29 2.78 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.84 1.052 . . . . 10.0 113.84 -177.768 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.381 0 N-CA-C 110.286 -0.265 . . . . 10.0 110.286 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 . . . . . 0 N--CA 1.446 -0.674 0 N-CA-C 109.753 -0.462 . . . . 10.0 109.753 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.579 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 2.6 t -178.24 171.12 1.7 Allowed 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.071 0.462 . . . . 10.0 111.547 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.27 156.77 26.67 Favored 'General case' 0 C--N 1.339 0.138 0 N-CA-C 107.093 -1.447 . . . . 10.0 107.093 -176.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.649 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -67.96 3.82 1.41 Allowed 'General case' 0 C--N 1.349 0.553 0 CA-C-N 114.076 -1.42 . . . . 10.0 112.621 179.213 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.06 -149.19 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.064 0.765 . . . . 10.0 113.064 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.401 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 1.1 t80 -115.12 70.69 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.519 0.676 . . . . 10.0 109.935 -178.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.49 28.52 26.98 Favored Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 120.583 -0.818 . . . . 10.0 113.935 178.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.565 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 44.1 t -89.98 74.31 7.29 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.579 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 43.9 mttp -71.23 65.89 0.41 Allowed 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.497 -0.927 . . . . 10.0 108.497 176.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.61 31.09 0.6 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.848 -0.532 . . . . 10.0 110.951 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -23.6 134.32 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 O-C-N 125.077 1.486 . . . . 10.0 111.902 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.96 114.46 0.79 Allowed 'General case' 0 CA--C 1.508 -0.643 0 CA-C-O 122.271 1.034 . . . . 10.0 109.672 -177.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -141.73 112.54 7.26 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 104.719 -2.326 . . . . 10.0 104.719 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -20.35 64.3 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.453 -0.794 . . . . 10.0 109.885 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.45 -26.83 66.59 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.506 -1.225 . . . . 10.0 109.722 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.68 141.07 22.13 Favored Pre-proline 0 C--O 1.235 0.334 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 178.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -85.87 74.57 3.37 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 N-CA-C 116.276 1.606 . . . . 10.0 116.276 -176.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.42 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 3.7 m -145.84 144.86 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-O 121.154 0.502 . . . . 10.0 110.959 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.55 169.05 8.76 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 114.722 -1.126 . . . . 10.0 108.805 178.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -117.75 103.74 10.29 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 118.155 2.65 . . . . 10.0 118.155 -177.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.774 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -100.4 -174.93 2.78 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 114.631 1.345 . . . . 10.0 114.631 -171.242 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -125.8 164.83 19.83 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 103.976 -2.601 . . . . 10.0 103.976 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.828 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.5 m-85 -61.16 157.86 40.08 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 119.445 1.021 . . . . 10.0 110.882 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.592 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 89.2 Cg_endo -75.58 86.65 1.45 Allowed 'Trans proline' 0 CA--C 1.514 -0.494 0 C-N-CA 122.322 2.014 . . . . 10.0 107.343 176.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.1 mt -69.93 -35.29 74.42 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 112.664 -2.062 . . . . 10.0 114.232 -174.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.4 p -94.07 9.83 36.11 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 113.179 -1.828 . . . . 10.0 110.429 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.432 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -132.78 55.8 19.19 Favored Pre-proline 0 N--CA 1.445 -0.676 0 N-CA-C 106.481 -1.674 . . . . 10.0 106.481 175.031 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.541 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.5 Cg_endo -48.72 -52.04 9.3 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.564 2.843 . . . . 10.0 114.4 -176.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -53.29 -43.93 67.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.561 0.696 . . . . 10.0 109.632 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.42 HD21 ' O ' ' A' ' 76' ' ' ALA . 1.3 tm? -71.1 -33.78 70.49 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.89 -1.152 . . . . 10.0 107.89 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.828 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 42.2 t -63.48 -37.46 87.38 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 106.609 -1.626 . . . . 10.0 106.609 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -66.11 -26.3 67.39 Favored 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 113.191 0.811 . . . . 10.0 113.191 -176.538 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.464 ' HG2' ' H ' ' A' ' 35' ' ' GLU . 0.8 OUTLIER -75.31 -24.47 57.44 Favored 'General case' 0 CA--C 1.495 -1.166 0 C-N-CA 116.533 -2.067 . . . . 10.0 109.008 179.29 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.651 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.7 m0 -58.17 -29.18 65.4 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 105.566 -2.013 . . . . 10.0 105.566 178.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -56.45 -48.23 77.47 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-O 123.472 1.606 . . . . 10.0 109.677 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -56.38 -32.42 64.77 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 110.944 -2.844 . . . . 10.0 112.871 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.88 -15.22 39.71 Favored 'General case' 0 C--N 1.308 -1.226 0 C-N-CA 120.368 -0.533 . . . . 10.0 110.598 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 36' ' ' TRP . 6.3 t -93.44 39.03 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 108.205 -1.035 . . . . 10.0 108.205 174.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.99 14.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 116.062 1.875 . . . . 10.0 116.062 -177.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.412 ' HA ' ' HD2' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -97.62 155.35 17.02 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 121.305 -0.872 . . . . 10.0 111.426 -179.509 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -63.31 -41.9 98.96 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.492 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.81 62.46 6.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.428 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.629 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 2.3 t80 -61.96 124.79 21.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.365 -0.834 . . . . 10.0 109.541 179.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.649 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -64.11 -171.83 0.06 OUTLIER Pre-proline 0 CA--C 1.547 0.833 0 CA-C-N 114.633 -1.167 . . . . 10.0 111.02 179.123 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.773 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 79.7 Cg_exo -45.95 178.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 122.939 2.426 . . . . 10.0 112.68 178.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.1 p -80.15 -153.16 0.08 Allowed 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 103.951 -2.611 . . . . 10.0 103.951 173.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.574 ' HD3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -90.7 -4.72 56.52 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 112.277 -2.238 . . . . 10.0 113.771 -174.821 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -78.36 -27.71 46.99 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 105.731 -1.951 . . . . 10.0 105.731 175.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.773 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 4.0 p -64.46 174.14 1.82 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 121.12 1.782 . . . . 10.0 107.725 173.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.639 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.29 165.11 11.87 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 114.803 -1.09 . . . . 10.0 110.31 -178.426 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.639 HD12 ' C ' ' A' ' 52' ' ' SER . 3.4 mp -134.14 159.28 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 N-CA-C 108.774 -0.824 . . . . 10.0 108.774 -176.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.628 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.3 p -106.9 159.58 16.15 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 119.941 1.246 . . . . 10.0 111.887 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.774 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 5.4 p -55.16 -40.99 71.28 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 118.894 2.924 . . . . 10.0 118.894 -172.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.565 ' OE2' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -55.86 -14.4 2.39 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 114.695 1.368 . . . . 10.0 114.695 -175.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.516 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 91.0 m-70 -85.78 -16.99 37.08 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 114.458 1.281 . . . . 10.0 114.458 -177.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.573 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -139.19 138.95 37.36 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 118.576 0.625 . . . . 10.0 111.086 -179.176 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p -42.77 138.57 2.24 Favored Pre-proline 0 N--CA 1.434 -1.24 0 O-C-N 124.682 1.239 . . . . 10.0 111.188 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.629 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 7.5 Cg_endo -49.16 -30.04 17.98 Favored 'Trans proline' 0 N--CA 1.449 -1.109 0 C-N-CA 122.99 2.46 . . . . 10.0 112.65 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.477 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -60.05 -50.72 72.61 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 113.559 -1.655 . . . . 10.0 107.39 174.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.715 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -90.34 7.61 37.65 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 -174.507 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.629 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -41.4 -56.54 2.46 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.879 -1.055 . . . . 10.0 113.249 179.731 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -175.75 -139.88 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 112.015 0.376 . . . . 10.0 112.015 -177.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.448 ' HG2' ' H ' ' A' ' 65' ' ' ARG . 6.8 ptm180 -61.0 -12.73 12.42 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.017 0.527 . . . . 10.0 112.354 -178.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.59 6.11 18.72 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.791 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 1.2 t -69.27 -106.33 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.321 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.484 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -101.94 -62.59 1.24 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.346 0.498 . . . . 10.0 112.346 -178.517 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -108.3 -70.97 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.738 -0.665 . . . . 10.0 112.435 -177.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.5 1.06 0.8 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.647 0.61 . . . . 10.0 112.647 -178.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.878 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -142.78 -166.14 2.22 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 -179.789 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.878 HD12 HD13 ' A' ' 71' ' ' LEU . 1.9 mp -63.08 -174.07 0.07 Allowed 'General case' 0 N--CA 1.482 1.146 0 CA-C-O 122.576 1.179 . . . . 10.0 109.518 -176.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.599 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 3.4 mmmm -87.54 101.44 13.62 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 102.651 -3.092 . . . . 10.0 102.651 170.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.432 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -49.02 -5.49 0.02 OUTLIER 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 116.346 1.98 . . . . 10.0 116.346 -177.697 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.13 19.93 18.93 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 121.297 0.57 . . . . 10.0 110.08 176.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.456 ' HB3' ' OG ' ' A' ' 62' ' ' SER . . . -142.87 146.36 34.01 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 123.307 1.527 . . . . 10.0 110.407 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.538 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -146.7 151.78 43.34 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 111.487 -2.597 . . . . 10.0 108.716 -177.672 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.538 ' HD2' HG23 ' A' ' 77' ' ' VAL . 1.7 Cg_endo -45.92 120.81 3.76 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 123.514 2.809 . . . . 10.0 106.662 177.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.9 t -123.63 -10.36 7.86 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 113.325 -1.762 . . . . 10.0 109.057 178.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.443 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -95.63 6.19 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.504 -177.028 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.423 ' O ' HD23 ' A' ' 82' ' ' LEU . 0.7 OUTLIER -40.08 -48.87 2.53 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.176 0.806 . . . . 10.0 113.176 -178.182 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 N-CA-C 109.816 -0.439 . . . . 10.0 109.816 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 . . . . . 0 N--CA 1.448 -0.558 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.505 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 2.0 t -179.33 170.41 1.37 Allowed 'General case' 0 C--O 1.239 0.503 0 O-C-N 123.406 0.441 . . . . 10.0 110.441 178.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.25 178.27 7.23 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 123.061 1.41 . . . . 10.0 108.07 -177.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 t -82.77 -13.35 56.43 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 111.509 -2.587 . . . . 10.0 110.89 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.75 166.9 18.27 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 106.037 -1.838 . . . . 10.0 106.037 176.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.442 ' CD1' ' HB2' ' A' ' 42' ' ' ARG . 15.8 p90 -101.54 100.11 10.5 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 122.25 1.024 . . . . 10.0 113.336 -175.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.78 -13.12 10.76 Favored Glycine 0 C--N 1.297 -1.617 0 C-N-CA 119.837 -1.173 . . . . 10.0 114.52 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.513 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 42.6 t -88.08 76.17 8.59 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 113.686 0.995 . . . . 10.0 113.686 -177.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.505 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 94.9 mttt -74.93 66.15 1.51 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.467 -1.679 . . . . 10.0 106.467 174.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.491 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 0.3 OUTLIER -82.24 43.65 0.81 Allowed 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 118.379 0.536 . . . . 10.0 111.607 -178.563 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -35.82 138.18 0.19 Allowed 'General case' 0 C--N 1.302 -1.458 0 O-C-N 124.624 1.202 . . . . 10.0 111.114 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.443 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -45.81 108.86 0.14 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.844 0.683 . . . . 10.0 112.844 -178.063 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.471 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 18.5 t0 -132.84 108.85 9.23 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 106.187 -1.782 . . . . 10.0 106.187 177.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.432 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -61.12 -23.27 65.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.791 0.805 . . . . 10.0 111.325 -178.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.423 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -63.7 -27.42 69.2 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.177 -1.374 . . . . 10.0 109.527 178.162 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.642 ' HZ2' HG22 ' A' ' 20' ' ' VAL . 3.7 pttp -104.91 146.07 31.94 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 114.8 -1.091 . . . . 10.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -89.47 78.22 0.99 Allowed 'Trans proline' 0 CA--C 1.535 0.555 0 N-CA-C 117.88 2.223 . . . . 10.0 117.88 -176.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.642 HG22 ' HZ2' ' A' ' 18' ' ' LYS . 0.9 OUTLIER -146.8 145.77 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 O-C-N 121.887 -0.508 . . . . 10.0 111.007 176.496 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.49 169.68 8.44 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.378 -0.828 . . . . 10.0 108.879 177.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.443 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -116.24 102.56 9.68 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 118.025 2.602 . . . . 10.0 118.025 -176.281 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.739 ' CE1' ' HE2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -106.25 160.36 15.4 Favored 'General case' 0 C--O 1.194 -1.862 0 N-CA-C 115.161 1.541 . . . . 10.0 115.161 -170.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.72 164.87 12.58 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 119.149 -1.02 . . . . 10.0 111.877 177.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.829 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.7 m-85 -59.44 156.39 31.38 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 118.422 0.555 . . . . 10.0 110.701 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.681 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 68.8 Cg_endo -78.02 67.76 7.99 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.823 2.349 . . . . 10.0 108.949 177.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.549 HD21 ' HG3' ' A' ' 49' ' ' LYS . 8.4 mt -50.16 -37.52 35.01 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-N 112.44 -2.163 . . . . 10.0 115.653 -177.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.5 p -85.01 -2.0 57.46 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 108.853 -3.794 . . . . 10.0 114.057 -175.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.524 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 3.5 ttm105 -133.59 63.72 65.35 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 105.531 -2.026 . . . . 10.0 105.531 173.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.556 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 4.3 Cg_endo -46.37 -52.6 7.08 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.738 2.959 . . . . 10.0 115.458 -175.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -51.99 -45.44 64.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.053 0.454 . . . . 10.0 110.19 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.524 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 1.9 tm? -69.84 -33.36 72.18 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.104 -1.073 . . . . 10.0 108.104 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.829 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 51.3 t -63.61 -36.72 84.75 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 107.98 -1.119 . . . . 10.0 107.98 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.64 -26.18 66.1 Favored 'General case' 0 N--CA 1.424 -1.758 0 N-CA-C 113.724 1.009 . . . . 10.0 113.724 -175.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.47 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -75.91 -18.44 59.37 Favored 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 116.212 -2.195 . . . . 10.0 109.346 179.746 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.734 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.6 m0 -61.2 -29.91 70.1 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 106.326 -1.731 . . . . 10.0 106.326 177.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -56.63 -39.06 72.99 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 124.151 1.929 . . . . 10.0 111.458 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.07 -29.76 68.79 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 109.732 -3.395 . . . . 10.0 109.838 -175.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.88 -15.34 32.38 Favored 'General case' 0 C--N 1.309 -1.161 0 C-N-CA 120.334 -0.546 . . . . 10.0 110.338 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 36' ' ' TRP . 4.9 t -91.53 43.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.172 -1.048 . . . . 10.0 108.172 175.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.06 14.37 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.533 1.309 . . . . 10.0 114.533 -178.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.708 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 28.5 tpt180 -86.27 141.59 29.16 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 122.235 -0.29 . . . . 10.0 111.191 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.708 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 27.0 ttpp -71.32 161.47 31.02 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 105.942 -1.873 . . . . 10.0 105.942 175.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.431 ' OD1' ' HG2' ' A' ' 43' ' ' LYS . 0.3 OUTLIER 58.76 36.42 24.81 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.694 -0.854 . . . . 10.0 108.694 -179.315 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.666 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 1.9 t80 -28.58 129.65 0.07 Allowed 'General case' 0 C--N 1.349 0.546 0 O-C-N 125.023 1.452 . . . . 10.0 111.968 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.666 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -57.0 -172.57 0.03 OUTLIER Pre-proline 0 C--O 1.221 -0.445 0 CA-C-N 114.343 -1.299 . . . . 10.0 110.72 178.742 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.772 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 87.4 Cg_exo -46.3 173.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.634 1.556 . . . . 10.0 111.511 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.442 ' HB ' ' HD2' ' A' ' 49' ' ' LYS . 38.3 p -81.35 -153.24 0.1 Allowed 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 103.236 -2.875 . . . . 10.0 103.236 173.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.682 ' HD2' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -90.11 -5.87 56.05 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 112.056 -2.338 . . . . 10.0 113.781 -174.052 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -76.52 -29.51 56.78 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 105.473 -2.047 . . . . 10.0 105.473 174.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.772 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 11.3 p -64.03 172.67 2.23 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 118.023 -1.471 . . . . 10.0 108.209 173.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.577 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -110.78 161.45 15.77 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 114.598 -1.183 . . . . 10.0 109.399 -179.18 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.577 HD12 ' C ' ' A' ' 52' ' ' SER . 3.0 mp -129.78 159.47 41.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 108.076 -1.083 . . . . 10.0 108.076 -175.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.566 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.5 p -106.06 157.39 17.57 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 119.658 1.117 . . . . 10.0 111.871 178.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.838 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 0.1 OUTLIER -55.84 -36.85 67.98 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 119.298 3.073 . . . . 10.0 119.298 -172.802 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.547 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -56.19 -15.04 3.21 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 113.137 0.792 . . . . 10.0 113.137 -176.595 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 89.2 m-70 -86.77 -16.85 35.07 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 114.039 1.125 . . . . 10.0 114.039 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.739 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -120.34 173.81 6.91 Favored 'General case' 0 CA--C 1.497 -1.07 0 CA-C-O 121.155 0.503 . . . . 10.0 110.003 -178.848 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.78 139.5 37.59 Favored Pre-proline 0 N--CA 1.421 -1.895 0 N-CA-C 108.252 -1.018 . . . . 10.0 108.252 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.603 ' O ' ' HB2' ' A' ' 63' ' ' PHE . 6.8 Cg_endo -47.83 -32.84 18.12 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 123.096 2.531 . . . . 10.0 111.891 179.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.584 ' O ' ' HA ' ' A' ' 67' ' ' SER . 0.9 OUTLIER -57.5 -49.48 76.18 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 114.204 -1.362 . . . . 10.0 109.833 177.359 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.572 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -91.56 6.89 43.9 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 114.068 -1.424 . . . . 10.0 114.186 -174.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.838 ' CE1' ' HB3' ' A' ' 55' ' ' SER . 0.4 OUTLIER -37.7 -64.14 0.41 Allowed 'General case' 0 CA--C 1.56 1.335 0 CA-C-N 113.755 -1.566 . . . . 10.0 115.178 179.213 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.654 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -174.91 -129.45 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 119.456 1.025 . . . . 10.0 113.002 -177.774 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.588 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -55.52 -34.14 64.39 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.48 -0.762 . . . . 10.0 110.527 179.702 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 62.0 mp0 -84.7 6.45 24.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.129 -0.941 . . . . 10.0 111.261 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.797 ' OG ' ' HD2' ' A' ' 73' ' ' LYS . 4.3 t -72.3 -91.42 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.072 -0.513 . . . . 10.0 112.046 -179.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -99.93 -72.02 0.68 Allowed 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.393 0.616 . . . . 10.0 110.578 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.474 ' CG ' ' H ' ' A' ' 70' ' ' LYS . 18.7 p-10 -110.56 -65.35 1.17 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.588 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 5.3 tttt -146.44 1.8 0.83 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.659 -0.867 . . . . 10.0 108.659 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.836 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -143.09 -170.19 3.2 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.969 -1.014 . . . . 10.0 109.461 -179.52 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.836 HD12 HD13 ' A' ' 71' ' ' LEU . 0.4 OUTLIER -63.27 -178.65 0.26 Allowed 'General case' 0 N--CA 1.477 0.88 0 CA-C-O 122.337 1.065 . . . . 10.0 110.241 -175.751 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.797 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 1.1 mmmm -88.4 112.2 22.63 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 104.602 -2.37 . . . . 10.0 104.602 172.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -49.93 -11.46 0.06 Allowed 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 115.358 1.614 . . . . 10.0 115.358 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.71 22.73 15.34 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.151 -0.931 . . . . 10.0 111.332 176.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.401 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -142.0 145.57 34.58 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 123.352 1.549 . . . . 10.0 109.777 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.506 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -150.67 148.85 24.45 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 111.232 -2.713 . . . . 10.0 108.046 -178.422 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.557 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 2.3 Cg_endo -46.59 121.03 4.37 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.631 2.887 . . . . 10.0 108.376 177.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 t -124.75 -10.24 7.28 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 113.961 -1.472 . . . . 10.0 110.026 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -89.26 5.04 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 115.513 -0.767 . . . . 10.0 112.553 -175.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.589 ' HE2' HG22 ' A' ' 40' ' ' VAL . 6.0 m-30 -40.64 -69.19 0.14 Allowed 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.623 0.971 . . . . 10.0 113.623 -177.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 82' ' ' LEU . 6.7 mt . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 120.884 0.373 . . . . 10.0 110.788 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 . . . . . 0 N--CA 1.444 -0.765 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.541 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -179.84 173.45 1.0 Allowed 'General case' 0 C--O 1.239 0.526 0 O-C-N 123.457 0.473 . . . . 10.0 110.45 179.456 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.689 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 4.3 m -79.99 177.22 9.08 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 122.796 1.284 . . . . 10.0 107.776 -177.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.542 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 30.6 t -82.69 -1.72 52.08 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 111.414 -2.63 . . . . 10.0 110.941 -178.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.451 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . . . -57.99 -149.92 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.98 0.895 . . . . 10.0 113.148 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -113.12 72.34 0.77 Allowed 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.1 -0.704 . . . . 10.0 109.1 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.88 28.07 29.9 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.284 -0.96 . . . . 10.0 113.993 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.528 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 2.0 t -79.39 75.46 5.98 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 117.385 0.592 . . . . 10.0 112.17 -178.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.541 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 18.0 mttt -73.75 65.81 1.04 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.197 -1.038 . . . . 10.0 108.197 176.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.46 ' OD1' ' HE2' ' A' ' 18' ' ' LYS . 2.2 m-80 -93.98 26.68 3.1 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.799 -0.563 . . . . 10.0 112.044 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -23.44 133.63 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 O-C-N 124.784 1.303 . . . . 10.0 111.521 -179.392 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -37.9 110.45 0.13 Allowed 'General case' 0 C--N 1.349 0.552 0 CA-C-O 122.079 0.942 . . . . 10.0 111.314 -177.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.416 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 15.5 t70 -137.2 109.85 7.52 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 105.307 -2.108 . . . . 10.0 105.307 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -19.38 65.95 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.218 -0.901 . . . . 10.0 110.744 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -28.51 67.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.485 -1.234 . . . . 10.0 108.997 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.46 ' HE2' ' OD1' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -96.92 149.49 35.79 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 107.528 -1.286 . . . . 10.0 107.528 178.056 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -91.08 75.55 0.71 Allowed 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 121.381 1.387 . . . . 10.0 115.543 -177.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.517 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 2.6 m -146.35 146.32 19.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 CA-C-O 121.469 0.652 . . . . 10.0 111.514 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 p -104.14 168.4 9.13 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 114.637 -1.165 . . . . 10.0 108.764 178.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -115.31 102.21 9.65 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 117.509 2.411 . . . . 10.0 117.509 -177.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.795 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -102.06 -173.73 2.41 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 114.613 1.338 . . . . 10.0 114.613 -170.282 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -126.57 165.34 19.35 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 104.881 -2.266 . . . . 10.0 104.881 -177.231 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.878 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.5 m-85 -60.86 156.76 44.54 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 119.333 0.969 . . . . 10.0 111.179 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.66 ' HB3' HD13 ' A' ' 72' ' ' LEU . 78.2 Cg_endo -76.41 86.31 1.58 Allowed 'Trans proline' 0 CA--C 1.513 -0.552 0 C-N-CA 122.581 2.187 . . . . 10.0 107.282 176.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 27' ' ' LEU . 16.7 mt -69.88 -37.11 75.93 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 112.798 -2.001 . . . . 10.0 114.723 -174.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -93.01 9.14 36.97 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 113.145 -1.843 . . . . 10.0 111.272 -176.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.498 ' HD3' ' CB ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -132.99 56.77 23.72 Favored Pre-proline 0 N--CA 1.439 -1.001 0 N-CA-C 105.995 -1.854 . . . . 10.0 105.995 174.211 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.544 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 9.4 Cg_endo -49.78 -49.27 16.39 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.883 3.056 . . . . 10.0 115.219 -175.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.451 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -54.77 -43.52 72.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 118.484 0.583 . . . . 10.0 109.431 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.498 ' CB ' ' HD3' ' A' ' 29' ' ' ARG . 1.3 tm? -70.05 -34.84 73.74 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.943 -1.132 . . . . 10.0 107.943 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.878 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 49.1 t -62.48 -37.04 84.42 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 106.962 -1.496 . . . . 10.0 106.962 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.11 -25.13 66.05 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 113.568 0.951 . . . . 10.0 113.568 -176.626 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -76.68 -21.43 55.4 Favored 'General case' 0 CA--C 1.493 -1.244 0 C-N-CA 116.154 -2.218 . . . . 10.0 108.57 179.463 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.693 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.8 m0 -58.49 -28.07 65.03 Favored 'General case' 0 N--CA 1.438 -1.032 0 N-CA-C 105.762 -1.94 . . . . 10.0 105.762 177.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -54.94 -48.61 72.94 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-O 123.441 1.591 . . . . 10.0 109.573 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.45 -33.66 59.99 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 111.021 -2.809 . . . . 10.0 113.183 179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.42 -15.42 37.8 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.639 -0.424 . . . . 10.0 110.218 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 36' ' ' TRP . 6.8 t -89.91 45.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 106.998 -1.482 . . . . 10.0 106.998 174.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.79 13.99 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 113.42 -1.718 . . . . 10.0 115.058 -178.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.441 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -103.32 139.97 38.03 Favored 'General case' 0 C--N 1.316 -0.882 0 O-C-N 121.562 -0.711 . . . . 10.0 111.893 -179.016 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.614 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER -57.81 -36.28 72.01 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.252 -0.885 . . . . 10.0 109.884 179.511 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.614 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 11.0 p30 -85.47 61.41 6.84 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.614 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 7.7 t80 -56.34 124.44 18.07 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.798 -1.092 . . . . 10.0 110.186 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.689 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -64.1 -172.64 0.07 OUTLIER Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 114.076 -1.42 . . . . 10.0 110.731 179.167 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.771 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 86.6 Cg_exo -46.3 175.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.133 1.889 . . . . 10.0 112.141 178.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.415 ' HB ' ' HE3' ' A' ' 49' ' ' LYS . 33.4 p -82.29 -152.78 0.11 Allowed 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 104.373 -2.454 . . . . 10.0 104.373 173.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.611 ' HD3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -89.97 -3.63 57.91 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 112.353 -2.203 . . . . 10.0 113.92 -173.858 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -79.1 -30.03 43.61 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 105.638 -1.986 . . . . 10.0 105.638 174.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.771 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 11.8 p -63.31 173.38 1.56 Allowed 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 120.794 1.634 . . . . 10.0 108.457 173.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.661 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.39 163.32 13.51 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 114.206 -1.361 . . . . 10.0 110.81 -177.751 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.661 HD12 ' C ' ' A' ' 52' ' ' SER . 3.2 mp -133.74 158.15 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 108.586 -0.894 . . . . 10.0 108.586 -176.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.634 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 14.1 p -106.13 159.99 15.66 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.643 1.111 . . . . 10.0 111.888 178.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.795 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -56.13 -36.18 67.96 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 119.114 3.005 . . . . 10.0 119.114 -172.764 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.534 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -55.43 -15.86 3.1 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 114.294 1.22 . . . . 10.0 114.294 -176.674 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.595 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 91.4 m-70 -86.9 -18.71 30.18 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 114.626 1.343 . . . . 10.0 114.626 -176.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.501 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -137.42 137.0 38.34 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-N 118.644 0.656 . . . . 10.0 111.263 -177.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.7 p -43.19 138.88 2.47 Favored Pre-proline 0 N--CA 1.433 -1.286 0 O-C-N 124.604 1.19 . . . . 10.0 111.358 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.519 ' HA ' ' CG ' ' A' ' 63' ' ' PHE . 8.8 Cg_endo -50.06 -29.28 21.42 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 122.85 2.366 . . . . 10.0 111.961 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.469 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 2.1 m-20 -59.82 -51.46 69.64 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 113.815 -1.539 . . . . 10.0 107.55 174.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.6 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -89.1 6.54 39.41 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 113.935 1.087 . . . . 10.0 113.935 -175.002 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.519 ' CG ' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -40.73 -59.05 1.49 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.753 -1.112 . . . . 10.0 113.795 179.372 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.472 ' HE3' ' OE2' ' A' ' 66' ' ' GLU . 29.2 pttt -173.74 -142.72 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -176.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.472 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -57.12 -12.98 2.49 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.515 0.932 . . . . 10.0 113.515 -178.8 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.472 ' OE2' ' HE3' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -82.95 5.45 21.94 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.209 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.804 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 3.0 t -71.42 -106.16 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.835 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.445 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -98.74 -71.51 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.942 0.401 . . . . 10.0 111.311 -177.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -103.5 -70.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.169 -0.468 . . . . 10.0 111.204 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -145.14 1.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.386 0.513 . . . . 10.0 112.386 -177.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.835 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -140.8 -165.51 1.96 Allowed 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 118.493 -0.765 . . . . 10.0 110.163 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.835 HD12 HD13 ' A' ' 71' ' ' LEU . 3.2 mp -62.47 -172.01 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 123.063 1.411 . . . . 10.0 110.637 -175.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.637 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 5.1 mmmm -87.92 101.98 14.26 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 102.795 -3.039 . . . . 10.0 102.795 170.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.494 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -48.23 -7.42 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 116.308 1.966 . . . . 10.0 116.308 -178.136 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.56 16.38 22.25 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-O 121.012 0.434 . . . . 10.0 110.973 175.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.448 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -137.63 147.47 44.99 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 123.218 1.485 . . . . 10.0 110.171 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.565 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -148.79 151.22 34.82 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 111.364 -2.653 . . . . 10.0 108.549 -177.449 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.595 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 2.8 Cg_endo -49.17 123.06 9.45 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.84 2.36 . . . . 10.0 107.258 176.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -124.71 -9.47 7.31 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 113.626 -1.625 . . . . 10.0 108.805 176.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.43 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -91.54 6.81 5.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.673 -175.719 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.615 ' HE2' HG22 ' A' ' 40' ' ' VAL . 2.2 m-30 -39.72 -46.13 1.83 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.943 1.09 . . . . 10.0 113.943 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 . . . . . 0 C--O 1.236 0.385 0 N-CA-C 110.679 -0.119 . . . . 10.0 110.679 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.574 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 3.2 t -179.06 168.35 1.57 Allowed 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 121.229 0.538 . . . . 10.0 111.573 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.575 ' HG ' ' HG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -77.77 160.35 28.44 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 107.017 -1.475 . . . . 10.0 107.017 -176.399 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.628 ' HA ' ' HB3' ' A' ' 46' ' ' LYS . 1.5 m -69.22 3.71 2.04 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 113.252 -1.795 . . . . 10.0 113.147 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' A' ' 81' ' ' PHE . . . -59.09 -146.23 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 121.742 0.782 . . . . 10.0 110.364 176.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.445 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 10.9 p90 -135.68 68.99 1.44 Allowed 'General case' 0 C--N 1.31 -1.147 0 O-C-N 120.649 -1.282 . . . . 10.0 108.375 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.48 6.49 8.02 Favored Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 118.57 -1.776 . . . . 10.0 115.144 178.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.514 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 49.5 t -91.21 73.33 6.25 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 113.374 0.879 . . . . 10.0 113.374 -177.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.574 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 8.5 mmmt -73.53 65.82 0.96 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.606 -1.257 . . . . 10.0 107.606 176.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.09 35.04 0.85 Allowed 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.719 -0.613 . . . . 10.0 111.851 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -24.81 135.7 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 O-C-N 124.929 1.393 . . . . 10.0 112.404 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.591 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -40.2 112.09 0.25 Allowed 'General case' 0 N--CA 1.478 0.96 0 CA-C-O 121.754 0.787 . . . . 10.0 110.842 -178.268 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.517 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 15.4 t0 -133.57 106.2 7.29 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 107.25 -1.389 . . . . 10.0 107.25 177.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -59.16 -15.4 14.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.843 0.83 . . . . 10.0 111.013 179.862 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.402 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 11.1 m-20 -76.92 -24.19 52.45 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.557 -1.201 . . . . 10.0 109.35 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -101.99 150.31 37.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 107.502 -1.296 . . . . 10.0 107.502 179.216 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -90.73 74.06 0.95 Allowed 'Trans proline' 0 N--CA 1.46 -0.5 0 N-CA-C 115.898 1.461 . . . . 10.0 115.898 -178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.514 HG13 ' HG3' ' A' ' 18' ' ' LYS . 0.9 OUTLIER -146.39 149.24 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-O 121.242 0.544 . . . . 10.0 112.162 176.806 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.461 ' H ' ' HG ' ' A' ' 55' ' ' SER . 2.5 p -111.66 169.3 8.92 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 108.168 -1.049 . . . . 10.0 108.168 177.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.591 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -113.7 103.76 11.55 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 117.503 2.409 . . . . 10.0 117.503 -176.143 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.75 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.76 159.2 16.67 Favored 'General case' 0 C--O 1.199 -1.598 0 N-CA-C 114.645 1.35 . . . . 10.0 114.645 -171.503 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 12.2 mtmm -95.01 165.48 12.41 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 118.289 -1.364 . . . . 10.0 111.266 178.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.92 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 2.2 m-85 -58.24 157.98 15.49 Favored Pre-proline 0 N--CA 1.469 0.496 0 CA-C-N 118.812 0.733 . . . . 10.0 111.254 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.587 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 98.5 Cg_endo -74.51 85.6 1.43 Allowed 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.887 2.391 . . . . 10.0 107.56 176.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -70.29 -34.83 73.23 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 112.351 -2.204 . . . . 10.0 114.999 -173.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 p -93.65 8.78 39.59 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 113.521 -1.672 . . . . 10.0 111.745 -176.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.51 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 3.8 ttm105 -135.03 63.22 56.54 Favored Pre-proline 0 N--CA 1.445 -0.715 0 N-CA-C 106.059 -1.83 . . . . 10.0 106.059 173.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.43 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.5 Cg_endo -50.19 -50.75 12.55 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.512 2.808 . . . . 10.0 114.324 -175.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -48.17 51.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.416 0.627 . . . . 10.0 109.346 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.51 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 2.2 tm? -69.17 -34.6 75.21 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.92 -1.036 . . . . 10.0 109.101 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.92 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 17.0 t -62.39 -36.75 83.27 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 107.893 -1.151 . . . . 10.0 107.893 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -68.89 -24.75 64.36 Favored 'General case' 0 N--CA 1.424 -1.742 0 N-CA-C 113.442 0.905 . . . . 10.0 113.442 -175.837 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.478 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -74.96 -24.62 58.49 Favored 'General case' 0 CA--C 1.494 -1.18 0 C-N-CA 115.557 -2.457 . . . . 10.0 108.873 178.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.72 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.0 m0 -57.64 -29.71 64.79 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 105.281 -2.118 . . . . 10.0 105.281 177.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -53.99 -50.72 65.93 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 124.115 1.912 . . . . 10.0 110.085 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.85 -33.95 62.36 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 109.944 -3.298 . . . . 10.0 112.522 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.29 -13.9 42.39 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 120.174 -0.61 . . . . 10.0 110.829 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.862 HG22 ' HE2' ' A' ' 81' ' ' PHE . 9.9 t -92.75 33.33 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-O 122.028 0.918 . . . . 10.0 108.527 173.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.05 13.6 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.523 1.675 . . . . 10.0 115.523 -176.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.24 157.44 25.19 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 121.549 -0.719 . . . . 10.0 110.939 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -57.08 -51.51 68.99 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.307 0.575 . . . . 10.0 110.239 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.17 64.89 8.82 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.605 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.638 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 1.1 t80 -52.46 118.69 3.76 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 177.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.638 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 1.2 tttp -63.02 -170.93 0.04 OUTLIER Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.503 1.121 . . . . 10.0 110.949 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.546 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 51.3 Cg_exo -43.67 175.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 123.019 2.479 . . . . 10.0 114.309 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.5 p -84.81 -153.62 0.16 Allowed 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 102.773 -3.047 . . . . 10.0 102.773 172.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.542 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.28 -4.28 57.25 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 111.222 -2.717 . . . . 10.0 113.983 -173.293 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -80.1 -29.04 38.98 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 105.578 -2.008 . . . . 10.0 105.578 174.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.546 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 0.9 OUTLIER -65.25 171.24 3.94 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 120.477 1.489 . . . . 10.0 108.843 174.003 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.481 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.77 161.18 15.67 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.016 -0.993 . . . . 10.0 109.802 -178.213 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.732 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.2 mp -129.02 156.58 41.73 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 CA-C-N 113.956 -1.475 . . . . 10.0 108.627 -175.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.575 ' HG ' ' HG ' ' A' ' 5' ' ' CYS . 12.9 p -105.26 154.42 20.27 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.742 0.782 . . . . 10.0 110.279 178.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.75 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -55.38 -35.35 65.19 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 119.228 3.047 . . . . 10.0 119.228 -172.034 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.514 ' OE2' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -55.98 -15.61 3.72 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 113.767 1.025 . . . . 10.0 113.767 -177.339 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.484 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 89.3 m-70 -80.79 -18.7 46.75 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 114.214 1.19 . . . . 10.0 114.214 -177.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.438 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -138.19 133.55 33.41 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 -178.628 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.3 p -39.48 140.01 0.82 Allowed Pre-proline 0 CA--C 1.499 -0.986 0 O-C-N 124.969 1.418 . . . . 10.0 110.86 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -51.23 -29.9 31.09 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.514 2.143 . . . . 10.0 111.971 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.425 ' OD2' ' HB ' ' A' ' 59' ' ' THR . 0.9 OUTLIER -61.39 -49.44 76.91 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 105.451 -2.055 . . . . 10.0 105.451 174.108 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.824 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 4.1 m -82.68 6.37 18.14 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 115.607 1.706 . . . . 10.0 115.607 -173.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -44.87 -76.07 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 114.291 -1.322 . . . . 10.0 114.417 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -166.92 -141.5 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.261 1.208 . . . . 10.0 114.261 -176.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.29 -18.86 0.68 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.081 1.352 . . . . 10.0 114.186 -177.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -77.35 5.93 7.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.068 0.461 . . . . 10.0 109.794 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.819 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 13.7 t -66.37 -111.91 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.331 -0.85 . . . . 10.0 112.222 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -100.46 -67.58 0.85 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.941 0.348 . . . . 10.0 111.941 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.421 ' CG ' ' N ' ' A' ' 70' ' ' LYS . 1.4 p-10 -103.4 -66.35 0.95 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 120.473 -0.491 . . . . 10.0 112.279 -179.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.421 ' N ' ' CG ' ' A' ' 69' ' ' ASN . 26.3 mmtm -147.95 -2.41 0.54 Allowed 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 113.864 1.061 . . . . 10.0 113.864 -177.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.819 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -140.87 -159.21 0.93 Allowed 'General case' 0 C--O 1.207 -1.184 0 C-N-CA 120.094 -0.643 . . . . 10.0 111.215 -177.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.784 HD12 HD13 ' A' ' 71' ' ' LEU . 1.2 mp -70.61 -167.49 0.19 Allowed 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 123.431 1.586 . . . . 10.0 110.302 -177.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.824 ' CD ' ' HA ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -90.13 102.84 15.55 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 111.68 -2.509 . . . . 10.0 105.212 172.286 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.485 ' HB2' ' NE ' ' A' ' 29' ' ' ARG . 4.4 tt0 -47.08 -10.14 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 115.903 1.816 . . . . 10.0 115.903 -179.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -109.46 18.74 20.06 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.567 -0.742 . . . . 10.0 111.859 175.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.406 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -141.58 148.35 39.13 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 123.82 1.771 . . . . 10.0 110.845 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.452 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -152.8 150.04 23.56 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 110.075 -3.239 . . . . 10.0 108.96 -176.617 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.559 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 0.9 OUTLIER -44.92 124.74 6.03 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.904 3.069 . . . . 10.0 108.764 176.809 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 77' ' ' VAL . 30.6 p -124.73 -11.78 7.19 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 113.754 -1.566 . . . . 10.0 110.067 177.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.471 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 1.7 mm -90.46 9.15 3.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 115.579 -0.737 . . . . 10.0 112.363 -174.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.862 ' HE2' HG22 ' A' ' 40' ' ' VAL . 3.1 m-30 -38.89 -40.87 0.69 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.376 1.251 . . . . 10.0 114.376 -177.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.445 ' HB2' ' CE1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 CA-C-O 120.821 0.343 . . . . 10.0 110.576 179.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 108.847 -0.797 . . . . 10.0 108.847 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.582 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -177.51 168.68 2.22 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.206 -0.906 . . . . 10.0 110.921 178.746 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.451 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 3.8 m -78.57 175.44 10.36 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 123.052 1.406 . . . . 10.0 107.923 -177.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.578 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 33.0 t -81.36 -3.83 53.88 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 111.685 -2.507 . . . . 10.0 111.461 -178.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.48 -148.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.825 0.821 . . . . 10.0 112.839 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.408 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -114.71 68.78 0.7 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 -179.43 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.91 36.52 7.71 Favored Glycine 0 N--CA 1.435 -1.416 0 C-N-CA 119.834 -1.174 . . . . 10.0 114.988 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.531 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 4.5 t -90.04 75.52 7.11 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.591 0.71 . . . . 10.0 112.349 -178.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.582 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 17.4 mttt -72.93 60.73 0.54 Allowed 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 177.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.44 ' OD1' ' HE2' ' A' ' 18' ' ' LYS . 1.1 m-80 -90.31 30.39 1.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.706 -0.621 . . . . 10.0 111.163 -179.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -27.14 135.91 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 O-C-N 124.963 1.414 . . . . 10.0 111.174 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -43.28 111.01 0.23 Allowed 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 122.269 1.033 . . . . 10.0 111.65 -176.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.639 ' OD2' ' HB2' ' A' ' 17' ' ' ASP . 24.8 t70 -134.66 112.08 10.51 Favored 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 104.955 -2.239 . . . . 10.0 104.955 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -17.1 62.05 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.704 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.639 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . 2.8 m-20 -72.46 -25.93 61.63 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.361 -1.29 . . . . 10.0 109.566 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -98.14 145.64 30.15 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 108.267 -1.012 . . . . 10.0 108.267 178.868 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -89.07 75.75 1.44 Allowed 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 121.868 1.712 . . . . 10.0 116.299 -177.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.449 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 1.7 m -147.97 148.24 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-O 121.611 0.72 . . . . 10.0 111.388 177.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.0 p -105.7 168.61 8.99 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 115.016 -0.993 . . . . 10.0 108.839 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.42 102.16 9.57 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 118.231 2.678 . . . . 10.0 118.231 -177.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.791 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -99.76 -174.27 2.66 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.764 -1.21 . . . . 10.0 114.201 -170.053 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -127.96 165.56 20.02 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 105.347 -2.094 . . . . 10.0 105.347 -177.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.971 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.6 m-85 -60.0 152.31 61.16 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 119.258 0.935 . . . . 10.0 111.062 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.566 ' HB3' HD13 ' A' ' 72' ' ' LEU . 74.1 Cg_endo -76.66 67.08 7.35 Favored 'Trans proline' 0 CA--C 1.516 -0.381 0 C-N-CA 122.949 2.433 . . . . 10.0 108.326 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.624 HD21 ' HG3' ' A' ' 49' ' ' LYS . 7.7 mt -49.66 -36.78 25.96 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-O 124.515 2.102 . . . . 10.0 114.817 -177.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.0 p -88.07 -1.93 58.3 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 109.49 -3.505 . . . . 10.0 113.48 -176.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.57 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -128.18 61.51 53.22 Favored Pre-proline 0 N--CA 1.442 -0.844 0 N-CA-C 105.506 -2.035 . . . . 10.0 105.506 174.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.493 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 8.4 Cg_endo -48.71 -56.41 3.18 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 124.225 3.283 . . . . 10.0 116.504 -174.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.84 -40.07 69.23 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.593 HD21 ' O ' ' A' ' 76' ' ' ALA . 1.2 tm? -71.86 -33.86 68.76 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.738 -1.208 . . . . 10.0 107.738 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.971 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 18.6 t -64.61 -37.13 86.53 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 106.965 -1.494 . . . . 10.0 106.965 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -68.68 -24.0 64.45 Favored 'General case' 0 N--CA 1.417 -2.079 0 N-CA-C 113.413 0.894 . . . . 10.0 113.413 -175.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.449 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.2 pt-20 -77.29 -18.21 57.73 Favored 'General case' 0 CA--C 1.495 -1.16 0 C-N-CA 116.535 -2.066 . . . . 10.0 109.029 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.689 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.9 m0 -61.59 -28.4 69.33 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 106.284 -1.747 . . . . 10.0 106.284 177.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -57.7 -39.99 78.46 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-O 124.006 1.86 . . . . 10.0 111.409 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.57 -29.33 66.86 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 109.727 -3.397 . . . . 10.0 109.758 -174.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.6 -14.15 38.24 Favored 'General case' 0 C--N 1.306 -1.299 0 C-N-CA 120.216 -0.594 . . . . 10.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 36' ' ' TRP . 8.8 t -93.82 36.14 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-O 122.105 0.955 . . . . 10.0 108.829 174.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.38 13.31 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 116.644 2.09 . . . . 10.0 116.644 -178.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -94.07 147.46 23.12 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 119.089 0.859 . . . . 10.0 111.403 -179.613 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.3 tttt -53.56 -46.98 70.46 Favored 'General case' 0 CA--C 1.508 -0.668 0 O-C-N 123.755 0.659 . . . . 10.0 111.268 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.66 66.31 9.5 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 115.007 -0.997 . . . . 10.0 110.16 -179.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.549 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 5.4 t80 -55.17 118.39 4.32 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.298 -0.865 . . . . 10.0 109.173 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.578 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -57.51 -172.58 0.03 OUTLIER Pre-proline 0 CA--C 1.551 1.001 0 CA-C-N 114.576 -1.193 . . . . 10.0 111.311 178.814 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.782 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 84.2 Cg_exo -44.74 175.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 C-N-CA 122.237 1.958 . . . . 10.0 112.931 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.2 p -81.88 -155.79 0.14 Allowed 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 103.745 -2.687 . . . . 10.0 103.745 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.624 ' HG3' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -89.33 -2.85 58.59 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 111.589 -2.55 . . . . 10.0 113.619 -173.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -78.67 -31.11 46.56 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 105.12 -2.178 . . . . 10.0 105.12 174.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.782 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 10.2 p -62.52 173.24 1.29 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 121.205 1.821 . . . . 10.0 109.052 175.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.572 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.77 162.38 14.52 Favored 'General case' 0 N--CA 1.429 -1.509 0 CA-C-N 114.189 -1.369 . . . . 10.0 110.829 -177.527 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.572 HD12 ' C ' ' A' ' 52' ' ' SER . 3.4 mp -131.48 156.51 42.7 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.658 0 CA-C-N 115.066 -0.97 . . . . 10.0 108.534 -175.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.672 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 14.2 p -105.94 161.69 14.24 Favored 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 119.641 1.11 . . . . 10.0 112.23 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.791 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.3 p -59.45 -34.96 73.17 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 119.278 3.066 . . . . 10.0 119.278 -171.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.551 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -56.85 -14.58 3.58 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 114.366 1.247 . . . . 10.0 114.366 -176.736 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.596 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 90.8 m-70 -87.27 -15.84 36.93 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 115.099 1.518 . . . . 10.0 115.099 -176.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.517 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -138.16 141.28 40.09 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 119.795 -0.762 . . . . 10.0 111.176 -177.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.428 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 1.9 p -45.64 137.42 5.61 Favored Pre-proline 0 N--CA 1.423 -1.777 0 CA-C-N 114.271 -1.331 . . . . 10.0 110.12 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.524 ' HA ' ' CD1' ' A' ' 63' ' ' PHE . 8.0 Cg_endo -48.83 -30.1 16.46 Favored 'Trans proline' 0 C--N 1.318 -1.035 0 C-N-CA 123.481 2.787 . . . . 10.0 112.33 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.638 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 7.0 m-20 -62.35 -46.65 87.74 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 113.443 -1.708 . . . . 10.0 108.049 176.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.589 ' OG ' ' HG2' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -91.92 7.08 43.72 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 113.761 1.023 . . . . 10.0 113.761 -175.692 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.524 ' CD1' ' HA ' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -40.48 -58.98 1.44 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.42 -1.264 . . . . 10.0 113.276 179.021 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HG3' ' OE1' ' A' ' 66' ' ' GLU . 10.2 pttp -174.11 -136.54 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 112.919 0.711 . . . . 10.0 112.919 -178.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -62.95 -16.86 60.94 Favored 'General case' 0 C--N 1.342 0.274 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -177.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.404 ' OE1' ' HG3' ' A' ' 64' ' ' LYS . 2.2 mp0 -83.35 7.23 17.25 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.918 0.389 . . . . 10.0 110.254 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.799 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 1.8 t -67.76 -103.87 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.694 -0.685 . . . . 10.0 111.625 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.445 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.2 OUTLIER -99.37 -71.57 0.69 Allowed 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 120.884 0.373 . . . . 10.0 110.757 -179.25 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -100.89 -70.98 0.72 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.67 -0.696 . . . . 10.0 112.107 -178.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.64 2.66 0.95 Allowed 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 112.56 0.578 . . . . 10.0 112.56 -178.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.799 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -144.86 -164.84 2.01 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.944 -0.762 . . . . 10.0 108.944 179.359 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.791 HD12 HD13 ' A' ' 71' ' ' LEU . 4.0 mp -63.18 -172.27 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 123.488 1.613 . . . . 10.0 109.744 -176.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.742 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -90.64 103.87 16.52 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 104.413 -2.44 . . . . 10.0 104.413 170.477 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.57 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -51.44 -4.26 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 115.622 1.712 . . . . 10.0 115.622 -179.004 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.423 ' H ' ' C ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -108.95 18.17 20.96 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.216 -0.902 . . . . 10.0 110.534 175.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.593 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -144.36 150.64 38.1 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 122.902 1.334 . . . . 10.0 109.936 -179.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 79' ' ' THR . 0.1 OUTLIER -152.45 151.15 26.64 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 111.933 -2.394 . . . . 10.0 109.464 -177.447 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.607 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 2.2 Cg_endo -46.43 120.41 3.81 Favored 'Trans proline' 0 C--N 1.362 1.281 0 C-N-CA 123.505 2.803 . . . . 10.0 105.764 176.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 77' ' ' VAL . 21.9 p -123.65 -10.6 7.83 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 113.609 -1.632 . . . . 10.0 110.162 177.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.43 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 1.0 OUTLIER -91.38 4.9 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.674 -0.693 . . . . 10.0 110.97 -176.711 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.414 ' HD1' ' ND1' ' A' ' 57' ' ' HIS . 1.6 m-30 -38.39 -49.26 1.43 Allowed 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 113.779 1.029 . . . . 10.0 113.779 -177.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 CA--C 1.513 -0.445 0 O-C-N 123.273 0.358 . . . . 10.0 110.227 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 109.646 -0.501 . . . . 10.0 109.646 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.738 HG11 " H2'" ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -70.04 -45.37 76.62 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.762 0 N-CA-C 108.755 -0.831 . . . . 10.0 108.755 178.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.483 ' NE2' ' H71' ' C' ' 20' ' ' ' DT' . 14.9 mt-30 -52.89 -47.42 67.91 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 114.071 -1.422 . . . . 10.0 109.4 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.535 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -177.34 165.37 2.23 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.516 0.51 . . . . 10.0 110.335 178.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.0 m -78.89 174.68 11.26 Favored 'General case' 0 C--N 1.339 0.137 0 CA-C-O 122.903 1.335 . . . . 10.0 107.723 -176.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.512 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 6.7 t -80.08 -0.62 36.45 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 111.419 -2.628 . . . . 10.0 110.938 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.8 -150.07 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 122.01 0.909 . . . . 10.0 113.14 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -114.25 68.55 0.69 Allowed 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 108.49 -0.93 . . . . 10.0 108.49 -178.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.41 34.48 7.98 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.566 -0.826 . . . . 10.0 114.532 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.1 t -86.31 76.1 9.73 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 4.0 mmtp -74.91 61.75 1.06 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 176.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -93.22 24.92 3.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 118.952 -0.546 . . . . 10.0 111.696 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -24.98 136.6 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 O-C-N 124.561 1.163 . . . . 10.0 111.724 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -36.77 107.01 0.05 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 122.132 0.967 . . . . 10.0 112.686 -176.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.499 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 8.6 t0 -131.75 108.02 9.17 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 105.571 -2.011 . . . . 10.0 105.571 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -18.88 47.44 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.408 -1.269 . . . . 10.0 111.403 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.499 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -73.64 -24.55 60.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.147 -0.933 . . . . 10.0 109.383 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.443 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -102.59 133.41 20.5 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 114.587 -1.188 . . . . 10.0 108.695 179.705 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.81 75.84 4.59 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 121.463 1.442 . . . . 10.0 115.561 -177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.422 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 4.1 m -143.06 144.2 24.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-O 121.349 0.595 . . . . 10.0 111.912 177.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.55 169.7 8.31 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.01 -0.996 . . . . 10.0 108.89 178.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -118.43 102.38 8.88 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 118.163 2.653 . . . . 10.0 118.163 -176.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.767 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.85 159.81 16.23 Favored 'General case' 0 C--O 1.195 -1.8 0 N-CA-C 115.18 1.548 . . . . 10.0 115.18 -171.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.482 ' HB2' ' H72' ' B' ' 8' ' ' ' DT' . 14.3 mtpt -95.23 165.75 12.24 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.022 -1.071 . . . . 10.0 110.956 177.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.948 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.17 157.47 16.69 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 118.685 0.675 . . . . 10.0 110.625 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.658 ' HB3' HD13 ' A' ' 72' ' ' LEU . 54.8 Cg_endo -78.43 67.51 8.27 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.638 2.225 . . . . 10.0 107.978 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.482 HD21 ' HG3' ' A' ' 49' ' ' LYS . 8.9 mt -48.08 -38.69 18.12 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 112.496 -2.138 . . . . 10.0 115.417 -177.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.7 p -87.42 0.08 56.02 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 109.14 -3.664 . . . . 10.0 113.546 -175.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.544 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.78 61.09 57.4 Favored Pre-proline 0 N--CA 1.448 -0.57 0 N-CA-C 105.782 -1.933 . . . . 10.0 105.782 174.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.44 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 8.5 Cg_endo -49.26 -51.27 10.96 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 123.705 2.937 . . . . 10.0 115.237 -174.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.74 -48.23 63.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.22 0.533 . . . . 10.0 109.597 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.508 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . 1.5 tm? -71.25 -30.66 66.59 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.808 -0.812 . . . . 10.0 108.808 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.948 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 19.7 t -63.91 -37.25 86.72 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.505 -1.295 . . . . 10.0 107.505 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.51 -25.92 65.19 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-N 114.879 -1.055 . . . . 10.0 113.597 -176.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.447 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.8 OUTLIER -74.74 -22.63 58.7 Favored 'General case' 0 CA--C 1.494 -1.204 0 C-N-CA 115.995 -2.282 . . . . 10.0 108.434 178.789 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.689 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.8 m0 -57.25 -29.52 63.88 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 105.665 -1.976 . . . . 10.0 105.665 178.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -55.23 -49.33 72.26 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 123.73 1.729 . . . . 10.0 110.067 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -55.66 -35.4 65.94 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 110.401 -3.09 . . . . 10.0 112.29 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.7 -15.8 38.44 Favored 'General case' 0 C--N 1.301 -1.525 0 C-N-CA 120.117 -0.633 . . . . 10.0 110.413 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 36' ' ' TRP . 25.7 t -91.88 46.03 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 108.164 -1.05 . . . . 10.0 108.164 174.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.24 13.31 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.095 1.146 . . . . 10.0 114.095 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.43 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -72.66 131.8 42.88 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 122.143 -0.348 . . . . 10.0 110.065 179.494 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -52.69 -54.1 38.27 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.418 0.628 . . . . 10.0 110.208 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.14 67.74 10.29 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 108.314 -0.995 . . . . 10.0 108.314 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.642 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 1.8 t80 -44.85 122.2 3.12 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.272 -0.876 . . . . 10.0 110.75 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.642 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -58.94 -171.1 0.03 OUTLIER Pre-proline 0 CA--C 1.544 0.747 0 CA-C-N 113.975 -1.466 . . . . 10.0 110.731 178.049 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.746 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 94.5 Cg_exo -45.43 176.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 122.55 2.167 . . . . 10.0 112.232 178.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.707 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 31.0 p -83.72 -154.47 0.16 Allowed 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 103.651 -2.722 . . . . 10.0 103.651 172.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.59 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.75 -2.19 57.82 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 112.493 -2.14 . . . . 10.0 113.858 -174.088 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.699 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 82.5 m-85 -77.84 -31.58 51.66 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 105.268 -2.123 . . . . 10.0 105.268 174.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.746 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 8.9 p -63.21 173.58 1.44 Allowed 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 120.78 1.627 . . . . 10.0 109.215 174.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.644 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.35 164.13 12.76 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 114.854 -1.066 . . . . 10.0 110.695 -178.322 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.644 HD12 ' C ' ' A' ' 52' ' ' SER . 3.0 mp -132.21 157.01 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 107.593 -1.262 . . . . 10.0 107.593 -176.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.549 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 15.2 p -106.64 153.88 21.74 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 119.805 1.184 . . . . 10.0 111.868 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.767 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 2.7 p -47.17 -40.04 15.06 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 118.634 2.827 . . . . 10.0 118.634 -173.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -16.02 2.71 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 114.665 1.357 . . . . 10.0 114.665 -176.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.575 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 94.3 m-70 -84.96 -16.5 40.74 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 114.586 1.328 . . . . 10.0 114.586 -177.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.589 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -125.4 174.16 8.37 Favored 'General case' 0 CA--C 1.499 -1.006 0 C-N-CA 120.256 -0.578 . . . . 10.0 110.17 -179.007 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.505 ' HB ' ' OD1' ' A' ' 61' ' ' ASP . 0.8 OUTLIER -79.87 139.9 54.05 Favored Pre-proline 0 N--CA 1.424 -1.76 0 N-CA-C 108.723 -0.843 . . . . 10.0 108.723 179.025 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.6 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 6.7 Cg_endo -48.7 -33.17 23.8 Favored 'Trans proline' 0 C--N 1.331 -0.389 0 C-N-CA 123.299 2.666 . . . . 10.0 112.191 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.526 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -58.17 -47.2 84.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.222 -1.354 . . . . 10.0 109.427 177.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.566 ' CB ' ' HG2' ' A' ' 73' ' ' LYS . 2.5 t -93.06 4.62 53.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.18 -1.373 . . . . 10.0 114.419 -175.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.6 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -34.47 -55.66 0.53 Allowed 'General case' 0 C--N 1.317 -0.81 0 O-C-N 124.402 1.064 . . . . 10.0 113.87 -179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.583 ' HG3' ' OE1' ' A' ' 66' ' ' GLU . 15.7 pttp -175.95 -135.39 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.254 0.464 . . . . 10.0 112.254 -178.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.494 ' HG2' ' H ' ' A' ' 65' ' ' ARG . 1.0 OUTLIER -59.73 -14.65 15.26 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -178.321 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.583 ' OE1' ' HG3' ' A' ' 64' ' ' LYS . 24.4 mp0 -84.06 5.55 25.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.916 0.389 . . . . 10.0 110.309 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.808 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 1.7 t -68.72 -103.2 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.693 -0.685 . . . . 10.0 110.96 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.463 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.6 OUTLIER -101.74 -67.91 0.84 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.886 0.374 . . . . 10.0 111.921 -179.115 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -106.26 -70.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -144.32 1.54 1.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.405 0.52 . . . . 10.0 112.405 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.808 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -141.95 -164.96 1.9 Allowed 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 118.417 -0.801 . . . . 10.0 109.626 179.819 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.713 HD12 HD13 ' A' ' 71' ' ' LEU . 3.4 mp -64.54 -174.48 0.13 Allowed 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 122.433 1.111 . . . . 10.0 109.989 -176.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.73 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -88.86 103.87 16.4 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 104.085 -2.561 . . . . 10.0 104.085 171.06 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.544 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -49.28 -5.99 0.02 OUTLIER 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 116.508 2.04 . . . . 10.0 116.508 -177.449 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.8 20.25 18.25 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-O 121.472 0.653 . . . . 10.0 110.534 175.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -139.88 142.88 36.5 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 123.497 1.618 . . . . 10.0 109.125 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.467 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -149.31 147.46 23.51 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 110.905 -2.861 . . . . 10.0 108.356 -178.107 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.559 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 1.7 Cg_endo -44.23 120.59 2.62 Favored 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 123.885 3.057 . . . . 10.0 108.355 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.41 -11.38 8.34 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 113.662 -1.608 . . . . 10.0 109.281 177.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.471 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.8 OUTLIER -92.49 6.22 6.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.018 -176.755 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.575 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.4 m-30 -40.7 -50.08 3.08 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 113.304 0.854 . . . . 10.0 113.304 -178.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -173.8 155.22 2.58 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.541 0.525 . . . . 10.0 110.124 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -68.08 -69.21 0.33 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.528 -0.76 . . . . 10.0 110.822 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.17 -69.85 0.38 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.177 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.4 p -157.49 133.24 5.88 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 110.162 -0.31 . . . . 10.0 110.162 -179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 7.8 Cg_endo -74.38 162.84 37.55 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.606 2.204 . . . . 10.0 111.872 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 119.216 -0.421 . . . . 10.0 110.86 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.892 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.561 0 O4'-C1'-C2' 106.953 0.776 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.892 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.986 0 O4'-C1'-N19 108.994 1.492 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.787 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 O4'-C1'-N19 108.868 1.335 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.787 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-C2' 107.333 1.121 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.732 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 O4'-C1'-N19 108.56 0.95 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.732 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 O4'-C1'-N19 108.67 1.088 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.975 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.66 0 O4'-C1'-N19 109.515 2.144 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.975 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C5'-C4'-C3' 113.138 -1.041 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.493 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.236 0 O4'-C1'-N19 109.565 2.206 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.738 " H2'" HG11 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.42 -1.275 0 O4'-C1'-N19 109.728 2.41 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.422 ' OP2' H2'' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 O3'-P-O5' 100.789 -1.69 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.42 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-C2' 107.038 0.853 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.57 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C2'-C3'-O3' 112.819 0.822 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.837 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C1'-C2' 107.084 0.895 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.107 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 1.024 0 O4'-C1'-N19 109.534 2.167 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.107 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.452 2.445 2 N19-C1'-C2' 103.326 -6.796 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.584 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C1'-N19 109.09 1.613 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.717 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.638 0 O4'-C1'-C2' 107.318 1.108 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.936 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C4'-C3'-C2' 102.38 -0.82 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.936 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-C2' 107.419 1.199 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.407 H2'' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-C2' 107.165 0.968 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.707 ' OP2' HG21 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.417 -1.442 0 O4'-C1'-N19 109.247 1.809 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.699 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 P-O5'-C5' 118.128 -1.732 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.41 ' OP2' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 O4'-C1'-N19 108.694 1.117 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . 0.455 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 O4'-C1'-N19 108.915 1.393 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.532 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-N19 109.045 1.556 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.592 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 O4'-C4'-C3' 104.648 -0.952 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.592 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 O4'-C1'-C2' 107.128 0.935 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.562 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-N19 108.736 1.17 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.51 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C4'-C3' 104.576 -1.024 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.51 ' C8 ' H2'' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 O4'-C1'-C2' 107.193 0.993 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.506 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 106.996 0.815 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.517 ' HA ' ' OG ' ' A' ' 52' ' ' SER . 3.1 mpp? . . . . . 0 N--CA 1.486 1.336 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' A' ' 13' ' ' ARG . 3.1 m -68.81 -34.99 67.48 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 O-C-N 123.15 0.281 . . . . 10.0 110.526 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -54.39 -57.43 11.33 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.535 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 1.3 t -177.78 166.35 2.1 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.708 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 30.9 m -80.48 177.64 8.86 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 123.356 1.551 . . . . 10.0 108.39 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.628 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 16.9 t -81.82 -3.64 54.47 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 110.873 -2.876 . . . . 10.0 110.582 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.34 -149.74 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.521 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -111.05 68.12 0.66 Allowed 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 -178.184 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.08 34.71 13.97 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.696 -0.684 . . . . 10.0 113.66 179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.446 ' O ' ' SG ' ' A' ' 10' ' ' CYS . 2.1 t -82.26 76.71 9.12 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.467 0.633 . . . . 10.0 112.504 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 18.0 mmtt -73.14 59.46 0.54 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 176.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.402 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 1.3 m-80 -93.57 30.66 1.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.383 -0.823 . . . . 10.0 112.097 -178.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.487 ' HA ' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -22.66 134.56 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.374 0 O-C-N 124.902 1.376 . . . . 10.0 111.631 179.529 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.498 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -42.03 113.57 0.45 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-O 121.763 0.792 . . . . 10.0 110.199 -178.332 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.413 ' OD2' ' HB2' ' A' ' 17' ' ' ASP . 25.6 t70 -140.34 107.15 5.38 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 106.096 -1.816 . . . . 10.0 106.096 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -20.3 56.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.64 0.733 . . . . 10.0 111.084 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.413 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . 1.0 OUTLIER -69.9 -22.36 63.23 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.56 -1.2 . . . . 10.0 109.11 179.458 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -101.02 146.16 31.66 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 107.304 -1.369 . . . . 10.0 107.304 177.593 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -88.35 75.48 1.84 Allowed 'Trans proline' 0 N--CA 1.462 -0.335 0 N-CA-C 115.62 1.354 . . . . 10.0 115.62 -177.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.533 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 2.4 m -147.78 149.09 15.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-O 121.528 0.68 . . . . 10.0 112.027 177.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.08 169.36 8.67 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 108.174 -1.047 . . . . 10.0 108.174 177.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.498 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -117.79 102.08 8.83 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 117.789 2.514 . . . . 10.0 117.789 -176.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.706 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -106.83 161.15 14.95 Favored 'General case' 0 C--O 1.195 -1.794 0 N-CA-C 115.069 1.507 . . . . 10.0 115.069 -171.11 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.481 ' NZ ' ' H71' ' B' ' 8' ' ' ' DT' . 34.2 mtpt -95.91 165.28 12.35 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 119.252 -0.979 . . . . 10.0 111.933 178.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.845 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -57.4 158.9 9.74 Favored Pre-proline 0 N--CA 1.47 0.563 0 CA-C-N 118.522 0.601 . . . . 10.0 111.345 179.569 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.689 ' HB3' HD13 ' A' ' 72' ' ' LEU . 57.4 Cg_endo -79.45 67.66 8.53 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.691 2.261 . . . . 10.0 108.617 177.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.538 HD21 ' HG3' ' A' ' 49' ' ' LYS . 12.3 mt -49.53 -38.31 30.21 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 112.623 -2.081 . . . . 10.0 115.361 -177.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.2 p -88.63 1.71 54.53 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 109.594 -3.457 . . . . 10.0 113.107 -175.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.539 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.28 59.22 43.92 Favored Pre-proline 0 N--CA 1.445 -0.724 0 N-CA-C 106.156 -1.794 . . . . 10.0 106.156 175.202 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.576 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.6 Cg_endo -47.68 -55.45 3.96 Favored 'Trans proline' 0 C--O 1.216 -0.584 0 C-N-CA 123.854 3.036 . . . . 10.0 115.974 -174.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.8 OUTLIER -53.09 -44.19 67.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.478 0.656 . . . . 10.0 109.776 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.48 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.5 tm? -69.9 -33.28 71.99 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.185 -1.043 . . . . 10.0 108.185 179.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.845 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 51.4 t -63.54 -37.03 85.75 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 107.78 -1.193 . . . . 10.0 107.78 179.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -67.39 -26.82 66.63 Favored 'General case' 0 N--CA 1.424 -1.738 0 CA-C-N 114.956 -1.02 . . . . 10.0 113.518 -176.817 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -73.88 -23.18 59.55 Favored 'General case' 0 CA--C 1.492 -1.258 0 C-N-CA 116.154 -2.218 . . . . 10.0 108.731 178.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.669 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.7 m0 -57.78 -29.5 64.9 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 105.99 -1.856 . . . . 10.0 105.99 178.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -55.28 -49.42 72.14 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 123.812 1.768 . . . . 10.0 109.62 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.04 -35.85 62.42 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 110.716 -2.947 . . . . 10.0 112.393 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.65 -16.27 34.89 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.839 -0.745 . . . . 10.0 110.172 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 36' ' ' TRP . 21.4 t -92.43 37.72 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 108.211 -1.033 . . . . 10.0 108.211 174.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.92 12.43 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.873 1.435 . . . . 10.0 114.873 -176.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.463 ' HD3' ' CE1' ' A' ' 8' ' ' TYR . 10.7 tpt180 -71.94 141.06 49.46 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -52.28 -57.25 10.3 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.209 0.528 . . . . 10.0 110.038 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.34 69.07 7.89 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 108.69 -0.855 . . . . 10.0 108.69 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.633 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 5.7 t80 -44.03 126.31 4.84 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.18 -0.918 . . . . 10.0 110.23 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.633 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -62.37 -172.71 0.05 OUTLIER Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 114.648 -1.16 . . . . 10.0 111.472 179.577 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.772 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 86.8 Cg_exo -46.41 176.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 122.453 2.102 . . . . 10.0 112.299 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.673 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 34.7 p -83.85 -154.2 0.15 Allowed 'General case' 0 CA--C 1.503 -0.846 0 N-CA-C 102.939 -2.986 . . . . 10.0 102.939 172.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -91.52 -3.71 56.24 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 112.357 -2.202 . . . . 10.0 114.129 -174.042 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.723 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 85.4 m-85 -77.53 -30.84 53.01 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 105.443 -2.058 . . . . 10.0 105.443 174.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.772 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 8.0 p -64.01 173.31 1.93 Allowed 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 120.441 1.473 . . . . 10.0 109.183 174.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.593 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -111.17 161.52 15.87 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 114.208 -1.36 . . . . 10.0 110.254 -178.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.593 HD12 ' C ' ' A' ' 52' ' ' SER . 3.2 mp -131.25 158.02 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 N-CA-C 107.43 -1.322 . . . . 10.0 107.43 -176.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.563 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.7 p -107.14 158.23 17.25 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 120.277 1.398 . . . . 10.0 111.338 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.706 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -52.27 -37.35 55.2 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 119.078 2.992 . . . . 10.0 119.078 -172.812 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -16.03 1.38 Allowed 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 114.43 1.27 . . . . 10.0 114.43 -176.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.575 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 92.0 m-70 -87.45 -16.55 34.5 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 114.893 1.442 . . . . 10.0 114.893 -176.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.548 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -138.01 137.76 38.19 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 118.673 0.67 . . . . 10.0 111.859 -177.636 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 p -43.86 138.33 3.21 Favored Pre-proline 0 N--CA 1.432 -1.366 0 CA-C-N 114.207 -1.361 . . . . 10.0 111.055 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.532 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 8.7 Cg_endo -49.49 -29.13 17.71 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.161 2.574 . . . . 10.0 112.509 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.455 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 9.0 m-20 -61.41 -48.56 80.64 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 113.717 -1.583 . . . . 10.0 107.503 175.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.614 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -91.51 6.68 44.65 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 113.786 1.032 . . . . 10.0 113.786 -174.671 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.532 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -39.15 -57.85 1.25 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 114.223 1.194 . . . . 10.0 114.223 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 67' ' ' SER . 13.9 pttt -175.86 -140.51 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 117.881 0.309 . . . . 10.0 111.534 -177.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.27 -12.08 12.06 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.354 0.501 . . . . 10.0 112.354 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.98 6.27 25.8 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.6 -0.519 . . . . 10.0 109.6 178.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.733 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 1.4 t -70.7 -108.35 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.176 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.481 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -102.65 -63.36 1.17 Allowed 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -178.791 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -102.51 -73.67 0.65 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.079 0.4 . . . . 10.0 112.079 -178.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -147.25 1.39 0.73 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.746 0.308 . . . . 10.0 111.478 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.795 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -143.95 -164.43 1.88 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 118.568 -0.729 . . . . 10.0 109.131 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.795 HD12 HD13 ' A' ' 71' ' ' LEU . 3.1 mp -64.07 -172.56 0.07 Allowed 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 122.748 1.261 . . . . 10.0 110.045 -176.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.619 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 3.1 mmmm -88.57 105.25 17.52 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 103.703 -2.703 . . . . 10.0 103.703 170.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.539 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 11.2 pm0 -50.39 -5.17 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 115.747 1.758 . . . . 10.0 115.747 -178.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.28 16.93 21.39 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.697 -0.683 . . . . 10.0 110.819 175.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.449 ' HB3' ' OG ' ' A' ' 62' ' ' SER . . . -141.33 143.26 33.93 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 123.747 1.737 . . . . 10.0 110.042 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.495 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -146.14 151.24 44.16 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 110.636 -2.983 . . . . 10.0 108.298 -177.377 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.575 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 2.0 Cg_endo -46.2 118.86 2.65 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 123.225 2.617 . . . . 10.0 107.754 176.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.48 -10.34 8.42 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 113.834 -1.53 . . . . 10.0 109.123 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.421 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -93.09 6.65 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 115.493 -0.776 . . . . 10.0 111.179 -177.178 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.512 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.5 m-30 -39.8 -48.92 2.31 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 114.014 1.116 . . . . 10.0 114.014 -177.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.521 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -170.63 164.19 8.23 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.282 -0.266 . . . . 10.0 110.282 -179.034 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -76.79 -58.51 3.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.186 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.448 HD12 HG12 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -152.25 -68.6 0.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.543 -0.299 . . . . 10.0 111.029 179.505 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.448 HG12 HD12 ' A' ' 84' ' ' LEU . 3.2 p -159.48 134.87 5.86 Favored Pre-proline 0 N--CA 1.452 -0.357 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.419 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 16.8 Cg_exo -65.78 177.38 2.91 Favored 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 122.923 2.415 . . . . 10.0 112.682 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.848 0 CA-C-O 117.751 -1.118 . . . . 10.0 109.455 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.868 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.541 0 O4'-C1'-C2' 107.013 0.83 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.868 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C4'-C3' 104.734 -0.866 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.863 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C1'-N19 108.972 1.465 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.863 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 O4'-C4'-C3' 104.363 -1.237 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.717 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 O4'-C1'-C2' 107.086 0.896 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.738 " H1'" ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 O4'-C1'-C2' 107.178 0.98 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 1.009 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 O4'-C1'-N19 109.178 1.723 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 1.009 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.647 0 C5'-C4'-C3' 112.874 -1.217 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.497 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.421 -1.204 0 O4'-C1'-N19 109.241 1.801 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.497 ' OP2' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.346 0 O4'-C1'-N19 109.212 1.765 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.583 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.969 0 O3'-P-O5' 101.325 -1.408 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.583 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C2'-C3'-O3' 112.971 0.878 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.599 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-C2' 107.103 0.912 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.837 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.578 0 O4'-C1'-C2' 106.963 0.784 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.173 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 O4'-C1'-N19 109.908 2.636 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.173 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.45 2.291 2 N19-C1'-C2' 103.434 -6.728 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.737 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-N19 108.8 1.249 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.737 ' C8 ' H2'' ' C' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C1'-C2' 107.218 1.017 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.717 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 O4'-C1'-N19 108.723 1.154 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.717 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 O4'-C1'-C2' 107.527 1.297 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.451 ' OP2' ' HA ' ' A' ' 47' ' ' PRO . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 O4'-C1'-C2' 107.156 0.96 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.685 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.419 -1.311 0 O4'-C1'-N19 109.304 1.88 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.723 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 P-O5'-C5' 118.267 -1.646 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 O4'-C1'-N19 109.228 1.784 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . 0.489 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.082 0 O4'-C4'-C3' 104.289 -1.311 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.572 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.706 0 O3'-P-O5' 101.74 -1.189 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.691 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 O4'-C1'-C2' 107.179 0.981 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.691 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-N19 108.754 1.193 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.516 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 107.376 1.16 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.485 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-C2' 107.176 0.978 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.607 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.662 0 O4'-C1'-C2' 107.003 0.821 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.607 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-C2' 107.128 0.934 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.55 ' HA ' ' OG ' ' A' ' 52' ' ' SER . 3.2 mpp? . . . . . 0 N--CA 1.488 1.452 0 N-CA-C 109.099 -0.704 . . . . 10.0 109.099 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.412 HG21 ' OP2' ' B' ' 11' ' ' ' DG' . 2.5 m -69.07 -34.84 65.77 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.624 0 O-C-N 123.283 0.365 . . . . 10.0 110.453 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.522 ' NE2' ' H71' ' C' ' 20' ' ' ' DT' . 32.3 mt-30 -52.52 -59.49 4.38 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.976 -0.75 . . . . 10.0 108.976 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.492 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 2.6 t 179.33 171.4 0.94 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 123.551 0.532 . . . . 10.0 110.654 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.39 168.38 16.64 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 107.594 -1.262 . . . . 10.0 107.594 -176.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.641 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 9.2 t -74.16 -0.32 16.34 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 112.461 -2.154 . . . . 10.0 111.682 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.416 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . . . -59.68 -147.42 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.448 0.907 . . . . 10.0 113.448 178.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.482 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 0.7 OUTLIER -112.43 70.72 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.697 -0.627 . . . . 10.0 109.406 -178.408 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.71 33.96 26.17 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.315 -0.945 . . . . 10.0 114.053 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.9 t -85.0 73.5 10.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.228 0.514 . . . . 10.0 111.75 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.492 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 6.9 mmtp -69.22 60.68 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.857 -0.794 . . . . 10.0 108.857 177.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -92.95 30.81 1.52 Allowed 'General case' 0 C--N 1.317 -0.805 0 O-C-N 121.352 -0.843 . . . . 10.0 111.536 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -23.58 133.67 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 O-C-N 125.253 1.595 . . . . 10.0 110.804 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -37.59 110.29 0.12 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.985 0.897 . . . . 10.0 111.318 -177.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.599 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 3.1 t0 -134.6 111.67 10.23 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 106.42 -1.696 . . . . 10.0 106.42 178.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -64.12 -16.64 62.25 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.122 -0.944 . . . . 10.0 111.829 -179.404 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.599 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -76.43 -23.78 53.95 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.248 -0.887 . . . . 10.0 108.677 179.633 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.533 ' HZ2' ' HB3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -100.69 145.45 30.37 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 107.9 -1.148 . . . . 10.0 107.9 178.799 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -90.23 76.23 0.96 Allowed 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 121.717 1.611 . . . . 10.0 116.266 -176.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.439 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 2.7 m -145.87 146.12 19.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-O 121.364 0.602 . . . . 10.0 111.26 178.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 p -104.64 168.6 8.97 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.072 -1.084 . . . . 10.0 108.072 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -120.73 101.46 7.74 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 117.397 2.369 . . . . 10.0 117.397 -176.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.711 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.38 162.67 13.7 Favored 'General case' 0 C--O 1.195 -1.775 0 N-CA-C 114.987 1.477 . . . . 10.0 114.987 -170.193 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.581 ' HD3' ' H72' ' B' ' 8' ' ' ' DT' . 15.2 mtpt -95.05 165.47 12.41 Favored 'General case' 0 C--N 1.311 -1.068 0 C-N-CA 119.419 -0.912 . . . . 10.0 111.727 178.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.926 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -59.05 158.18 18.52 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 118.666 0.666 . . . . 10.0 110.323 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.658 ' HB3' HD13 ' A' ' 72' ' ' LEU . 49.3 Cg_endo -79.52 68.33 8.32 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.472 2.115 . . . . 10.0 108.409 177.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 27' ' ' LEU . 11.1 mt -49.95 -36.06 26.47 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 112.99 -1.914 . . . . 10.0 115.109 -176.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.0 p -88.76 1.62 54.89 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 109.673 -3.421 . . . . 10.0 113.2 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.51 57.61 32.6 Favored Pre-proline 0 N--CA 1.447 -0.592 0 N-CA-C 106.145 -1.798 . . . . 10.0 106.145 174.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.523 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 4.5 Cg_endo -46.7 -56.1 3.26 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 123.844 3.03 . . . . 10.0 115.627 -175.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -47.37 57.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.279 0.561 . . . . 10.0 109.654 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.479 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.8 tm? -69.92 -33.15 71.78 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.428 -0.953 . . . . 10.0 108.428 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.926 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 49.4 t -63.29 -36.53 83.99 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 107.149 -1.426 . . . . 10.0 107.149 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -68.83 -24.08 64.33 Favored 'General case' 0 N--CA 1.427 -1.6 0 N-CA-C 113.726 1.01 . . . . 10.0 113.726 -176.126 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -75.18 -21.84 58.46 Favored 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 115.888 -2.325 . . . . 10.0 108.317 178.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.639 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.4 m0 -59.2 -26.23 64.66 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 106.21 -1.774 . . . . 10.0 106.21 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -55.82 -48.16 75.94 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 123.712 1.72 . . . . 10.0 109.33 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -53.49 -35.24 60.38 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 110.596 -3.002 . . . . 10.0 112.024 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.05 -16.55 31.32 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 119.841 -0.744 . . . . 10.0 110.197 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 36' ' ' TRP . 24.4 t -92.41 25.59 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 122.338 1.066 . . . . 10.0 108.471 175.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -56.95 13.67 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.748 1.388 . . . . 10.0 114.748 -177.747 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.483 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -76.59 145.56 38.86 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 122.2 -0.312 . . . . 10.0 110.277 -179.408 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.1 tttt -51.94 -54.79 25.46 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.83 68.15 9.83 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.449 -0.796 . . . . 10.0 109.265 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.648 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 2.5 t80 -49.46 122.83 6.66 Favored 'General case' 0 C--O 1.231 0.096 0 CA-C-N 115.39 -0.823 . . . . 10.0 108.844 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.648 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -61.86 -172.05 0.05 OUTLIER Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 114.837 -1.074 . . . . 10.0 110.826 179.209 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.742 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 81.0 Cg_exo -47.05 176.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 121.955 1.77 . . . . 10.0 112.054 178.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.604 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 32.7 p -82.19 -153.54 0.11 Allowed 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 103.354 -2.832 . . . . 10.0 103.354 172.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.568 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.0 -3.51 57.95 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 112.027 -2.351 . . . . 10.0 114.052 -173.408 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.713 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 70.1 m-85 -78.25 -30.51 48.67 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 105.68 -1.97 . . . . 10.0 105.68 174.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.742 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 10.7 p -62.95 173.0 1.49 Allowed 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 120.675 1.579 . . . . 10.0 109.596 174.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.643 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -109.6 159.43 17.11 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.271 -1.332 . . . . 10.0 109.764 -179.791 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.643 HD12 ' C ' ' A' ' 52' ' ' SER . 2.7 mp -129.78 158.24 42.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 114.219 -1.355 . . . . 10.0 107.722 -175.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.577 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 15.2 p -105.84 157.43 17.47 Favored 'General case' 0 CA--C 1.552 1.035 0 CA-C-N 119.988 1.267 . . . . 10.0 111.827 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.711 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 2.1 p -53.36 -41.15 65.56 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 118.85 2.908 . . . . 10.0 118.85 -173.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -14.41 1.1 Allowed 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 114.607 1.336 . . . . 10.0 114.607 -176.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.55 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 82.7 m-70 -85.43 -17.05 37.74 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 114.643 1.349 . . . . 10.0 114.643 -177.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.597 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -125.18 174.69 7.91 Favored 'General case' 0 CA--C 1.502 -0.88 0 CA-C-N 118.412 0.551 . . . . 10.0 109.974 -178.441 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.11 140.1 42.59 Favored Pre-proline 0 N--CA 1.432 -1.325 0 N-CA-C 108.69 -0.855 . . . . 10.0 108.69 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.584 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.1 Cg_endo -49.75 -30.89 24.08 Favored 'Trans proline' 0 C--N 1.33 -0.433 0 C-N-CA 123.359 2.706 . . . . 10.0 113.015 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.05 -46.23 88.77 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.321 -1.308 . . . . 10.0 109.099 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.44 ' OG ' ' HB2' ' A' ' 73' ' ' LYS . 1.9 t -94.4 3.73 54.8 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 113.967 -1.469 . . . . 10.0 114.055 -175.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.584 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -36.81 -55.03 0.91 Allowed 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 -178.817 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.484 ' HB2' ' H ' ' A' ' 65' ' ' ARG . 31.3 pttt -173.66 -145.3 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.617 0.644 . . . . 10.0 112.539 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.484 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 3.0 ptm180 -54.72 -19.63 6.65 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.434 0.902 . . . . 10.0 113.434 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -80.55 5.53 15.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.016 0.436 . . . . 10.0 110.091 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.806 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.6 t -68.62 -101.66 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.632 179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.42 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.5 OUTLIER -101.0 -68.66 0.8 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.872 0.367 . . . . 10.0 111.904 -178.483 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -109.41 -67.75 0.96 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.621 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -144.63 0.35 0.98 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.215 -0.594 . . . . 10.0 112.512 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.813 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -140.53 -164.59 1.75 Allowed 'General case' 0 C--O 1.214 -0.782 0 CA-C-O 118.622 -0.704 . . . . 10.0 110.426 -179.143 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.813 HD12 HD13 ' A' ' 71' ' ' LEU . 3.8 mp -64.33 -168.79 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 123.779 1.752 . . . . 10.0 110.922 -176.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.642 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -87.87 100.91 13.23 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 103.446 -2.798 . . . . 10.0 103.446 170.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.479 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -51.63 -7.99 0.05 Allowed 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 115.131 1.53 . . . . 10.0 115.131 -178.742 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.36 16.97 21.97 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.602 -0.726 . . . . 10.0 111.047 176.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.444 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -139.51 142.98 37.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 123.837 1.78 . . . . 10.0 109.418 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.49 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -144.48 149.15 43.1 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 110.254 -3.157 . . . . 10.0 108.853 -178.254 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.531 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 1.2 Cg_endo -46.94 118.99 3.04 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.54 2.827 . . . . 10.0 107.984 177.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.7 t -124.23 -10.95 7.53 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 114.123 -1.399 . . . . 10.0 109.57 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.416 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.9 OUTLIER -91.19 6.26 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.086 -0.961 . . . . 10.0 110.64 -177.279 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.55 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 2.0 m-30 -39.42 -52.79 2.07 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.046 1.128 . . . . 10.0 114.046 -178.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.482 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -167.77 163.29 14.16 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 -179.111 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -67.73 -59.87 2.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.108 -0.701 . . . . 10.0 109.108 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.51 HD12 HG12 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -163.28 -66.68 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.609 179.218 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.51 HG12 HD12 ' A' ' 84' ' ' LEU . 1.5 p -153.76 125.37 3.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 10.0 111.51 -179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.42 ' HG3' HD11 ' A' ' 82' ' ' LEU . 16.4 Cg_exo -66.74 -179.76 1.8 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.698 2.932 . . . . 10.0 113.099 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-N 115.195 -0.911 . . . . 10.0 109.698 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.698 H2'' ' C6 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.564 0 O5'-C5'-C4' 111.601 1.001 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.752 H2'' ' H71' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.998 0 O4'-C1'-N19 109.07 1.587 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.802 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 O4'-C1'-N19 108.954 1.442 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.802 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-N19 108.678 1.097 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.737 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 C4'-C3'-C2' 102.466 -0.734 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.737 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.071 0 O4'-C4'-C3' 104.632 -0.968 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 1.004 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 O4'-C1'-N19 109.497 2.121 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 1.004 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.68 0 O3'-P-O5' 101.901 -1.105 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.492 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.421 -1.163 0 O4'-C1'-N19 109.288 1.859 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.492 ' OP2' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.383 0 P-O5'-C5' 117.846 -1.908 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.412 ' OP2' HG21 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 O3'-P-O5' 101.053 -1.551 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.516 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.422 -1.104 0 C2'-C3'-O3' 114.158 1.318 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.533 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 O4'-C1'-C2' 107.054 0.867 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.959 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 O4'-C1'-C2' 106.962 0.784 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.12 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 O4'-C1'-N19 109.48 2.1 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.12 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.452 2.471 2 N19-C1'-C2' 103.137 -6.914 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.569 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.43 0.776 0 O4'-C1'-N19 108.97 1.462 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.772 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 O4'-C1'-N19 108.729 1.162 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.838 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 O4'-C1'-C2' 106.942 0.765 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.838 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 O4'-C1'-C2' 107.296 1.088 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.473 ' C8 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 O4'-C1'-C2' 107.148 0.953 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.713 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.419 -1.326 0 O4'-C1'-N19 108.876 1.344 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.71 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 P-O5'-C5' 118.249 -1.657 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.044 0 O4'-C1'-N19 108.882 1.353 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . 0.465 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.969 0 O4'-C1'-N19 109.267 1.834 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.571 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.663 0 O3'-P-O5' 101.714 -1.203 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.668 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-C2' 107.044 0.858 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.668 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 O4'-C1'-N19 108.732 1.166 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.563 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C4'-C3' 104.5 -1.1 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.515 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 O4'-C4'-C3' 104.615 -0.985 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.445 ' C8 ' H2'' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-C2' 107.093 0.902 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.429 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.669 0 O4'-C1'-C2' 107.134 0.94 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HA ' ' H ' ' A' ' 52' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 109.196 -0.668 . . . . 10.0 109.196 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.731 HG21 H2'' ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -68.38 -46.02 81.36 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 O-C-N 123.014 0.196 . . . . 10.0 110.574 -179.614 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.456 ' NE2' ' H71' ' C' ' 20' ' ' ' DT' . 21.9 mt-30 -50.66 -50.38 54.8 Favored 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 123.967 0.792 . . . . 10.0 109.598 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.605 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 2.7 t -178.14 166.83 1.98 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 123.419 0.449 . . . . 10.0 111.562 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.7 m -80.75 165.29 22.06 Favored 'General case' 0 C--N 1.339 0.121 0 N-CA-C 107.844 -1.169 . . . . 10.0 107.844 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.65 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 8.0 t -74.92 0.06 16.97 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 112.908 -1.951 . . . . 10.0 110.656 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.89 -149.32 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 113.972 1.101 . . . . 10.0 113.972 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.455 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -110.41 68.03 0.66 Allowed 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.833 -0.622 . . . . 10.0 109.36 -178.236 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.69 33.21 25.28 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.54 -0.838 . . . . 10.0 113.291 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.6 t -88.13 75.98 8.58 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 117.567 0.684 . . . . 10.0 112.246 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.605 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 11.5 mtpt -72.69 63.99 0.63 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.336 -0.986 . . . . 10.0 108.336 176.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -92.07 32.17 1.18 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 119.296 0.953 . . . . 10.0 112.918 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -24.36 137.65 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 O-C-N 124.711 1.257 . . . . 10.0 112.026 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.472 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -43.19 109.42 0.14 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.45 0.643 . . . . 10.0 110.956 -178.18 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.542 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 17.8 t0 -134.49 117.45 16.24 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 105.542 -2.021 . . . . 10.0 105.542 177.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.96 -16.88 61.07 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.366 -0.834 . . . . 10.0 111.505 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.514 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . 96.4 m-20 -74.5 -24.24 58.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.17 -0.923 . . . . 10.0 109.687 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -100.7 140.96 21.78 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 108.335 -0.987 . . . . 10.0 108.335 179.221 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -86.71 75.63 2.63 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 121.463 1.442 . . . . 10.0 114.754 -177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.504 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 1.6 m -146.28 148.21 17.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-O 121.252 0.549 . . . . 10.0 111.213 178.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.4 169.1 8.78 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 108.034 -1.098 . . . . 10.0 108.034 177.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.472 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 1.9 m-85 -117.8 103.75 10.29 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 116.983 2.216 . . . . 10.0 116.983 -177.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.715 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -106.36 159.17 16.34 Favored 'General case' 0 C--O 1.202 -1.445 0 N-CA-C 114.796 1.406 . . . . 10.0 114.796 -171.337 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.448 ' NZ ' ' H71' ' B' ' 8' ' ' ' DT' . 28.3 mtpt -94.31 163.59 13.37 Favored 'General case' 0 C--N 1.309 -1.161 0 C-N-CA 119.124 -1.03 . . . . 10.0 111.122 178.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.875 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.5 m-85 -58.05 157.3 16.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 118.642 0.655 . . . . 10.0 111.092 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.689 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 91.7 Cg_endo -77.23 68.45 7.43 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.904 2.403 . . . . 10.0 109.484 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.623 HD21 ' HG3' ' A' ' 49' ' ' LYS . 12.6 mt -50.38 -35.25 27.31 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 112.778 -2.01 . . . . 10.0 115.257 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.0 p -90.31 0.09 57.4 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 109.896 -3.32 . . . . 10.0 113.328 -176.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.522 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -131.45 59.13 43.29 Favored Pre-proline 0 N--CA 1.444 -0.742 0 N-CA-C 106.118 -1.808 . . . . 10.0 106.118 175.404 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.501 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.4 Cg_endo -46.58 -53.14 6.44 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.814 3.009 . . . . 10.0 115.191 -175.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.4 m -52.15 -46.07 65.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.966 0.412 . . . . 10.0 109.939 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.48 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . 1.4 tm? -71.37 -32.64 68.73 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.196 -1.038 . . . . 10.0 108.196 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.875 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 49.9 t -62.96 -37.12 85.83 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.267 -1.382 . . . . 10.0 107.267 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -24.83 64.93 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 113.742 1.016 . . . . 10.0 113.742 -176.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -76.12 -22.25 55.72 Favored 'General case' 0 CA--C 1.497 -1.081 0 C-N-CA 116.448 -2.101 . . . . 10.0 108.95 179.477 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.673 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.2 m0 -58.39 -27.63 64.43 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 105.934 -1.876 . . . . 10.0 105.934 177.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -55.38 -48.12 74.79 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-O 123.632 1.682 . . . . 10.0 109.657 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -53.96 -34.72 60.5 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 110.677 -2.965 . . . . 10.0 112.63 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.422 ' O ' ' HD2' ' A' ' 81' ' ' PHE . . . -88.48 -15.99 33.9 Favored 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 120.311 -0.556 . . . . 10.0 111.206 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 36' ' ' TRP . 20.0 t -90.28 45.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 107.215 -1.402 . . . . 10.0 107.215 175.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.31 13.11 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.107 -1.406 . . . . 10.0 114.007 -177.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -78.33 144.31 36.16 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -56.92 -56.38 22.36 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.274 0.559 . . . . 10.0 109.683 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.13 68.33 6.23 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 115.078 -0.965 . . . . 10.0 108.758 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.641 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 4.5 t80 -46.59 124.45 5.98 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.283 -0.871 . . . . 10.0 109.326 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.65 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.7 OUTLIER -62.63 -172.92 0.06 OUTLIER Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 114.632 -1.167 . . . . 10.0 111.262 179.605 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.774 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 82.7 Cg_exo -46.13 176.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 122.336 2.024 . . . . 10.0 112.832 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.611 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 36.6 p -82.49 -153.83 0.12 Allowed 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 103.253 -2.869 . . . . 10.0 103.253 172.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.623 ' HG3' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -90.33 -3.55 57.68 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 111.875 -2.42 . . . . 10.0 114.161 -173.756 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.714 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 81.4 m-85 -78.16 -30.8 49.34 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 105.29 -2.115 . . . . 10.0 105.29 174.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.774 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 12.8 p -64.39 173.09 2.2 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 117.767 -1.573 . . . . 10.0 109.082 174.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.613 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -110.18 162.84 14.2 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.772 -1.103 . . . . 10.0 110.165 -178.171 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.613 HD12 ' C ' ' A' ' 52' ' ' SER . 3.3 mp -130.77 158.46 43.13 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 107.805 -1.183 . . . . 10.0 107.805 -176.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.571 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 13.9 p -106.33 156.77 18.17 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 119.927 1.24 . . . . 10.0 111.607 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.715 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.8 p -54.7 -37.12 65.43 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 118.972 2.952 . . . . 10.0 118.972 -172.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -15.34 2.37 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 114.068 1.136 . . . . 10.0 114.068 -176.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.596 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 88.4 m-70 -86.25 -16.91 36.16 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 114.532 1.308 . . . . 10.0 114.532 -177.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.542 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -137.27 136.25 37.89 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 118.229 0.468 . . . . 10.0 110.891 -178.666 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.2 p -41.49 136.59 1.85 Allowed Pre-proline 0 N--CA 1.431 -1.39 0 O-C-N 124.795 1.31 . . . . 10.0 111.17 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.584 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.0 Cg_endo -49.49 -29.35 18.28 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.86 2.373 . . . . 10.0 111.887 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.616 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 3.4 m-20 -59.2 -49.71 76.81 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 113.724 -1.58 . . . . 10.0 107.653 174.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.669 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -89.72 6.08 43.08 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 114.219 1.192 . . . . 10.0 114.219 -174.376 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.584 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 1.1 m-30 -39.84 -56.9 1.68 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 114.624 1.342 . . . . 10.0 114.624 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 3.7 pttt -174.94 -143.61 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 118.329 0.513 . . . . 10.0 112.168 -177.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.435 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 1.0 OUTLIER -56.45 -14.34 2.96 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.977 0.732 . . . . 10.0 112.977 -179.179 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -81.85 6.25 16.28 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.835 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.4 t -72.03 -110.68 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.702 -0.681 . . . . 10.0 111.089 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.467 ' N ' ' OG ' ' A' ' 67' ' ' SER . 1.0 OUTLIER -101.23 -65.38 0.98 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.717 0.636 . . . . 10.0 112.717 -178.411 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -104.25 -70.49 0.77 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.025 0.75 . . . . 10.0 113.025 -177.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -144.71 -6.0 0.71 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.392 -0.523 . . . . 10.0 112.175 -177.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.993 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -140.08 -159.32 0.94 Allowed 'General case' 0 C--O 1.214 -0.813 0 CA-C-O 118.325 -0.845 . . . . 10.0 110.002 -179.059 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.993 HD12 HD13 ' A' ' 71' ' ' LEU . 1.4 mp -64.63 -171.29 0.06 Allowed 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 122.425 1.107 . . . . 10.0 110.19 -176.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.67 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 4.4 mmmm -87.9 100.21 12.71 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 103.307 -2.849 . . . . 10.0 103.307 170.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.522 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 1.8 pm0 -48.78 -7.06 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 116.722 2.119 . . . . 10.0 116.722 -176.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.26 19.53 20.22 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.368 0.604 . . . . 10.0 110.57 175.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.428 ' HB3' ' OG ' ' A' ' 62' ' ' SER . . . -142.51 142.6 32.27 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 123.424 1.583 . . . . 10.0 109.508 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.539 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -145.42 150.69 45.13 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 110.985 -2.825 . . . . 10.0 108.361 -177.831 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.596 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 1.3 Cg_endo -46.74 119.64 3.44 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 123.403 2.735 . . . . 10.0 107.677 177.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.3 t -124.67 -11.29 7.28 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 113.747 -1.569 . . . . 10.0 109.497 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.451 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -91.74 6.9 5.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.8 -176.133 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.514 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 2.2 m-30 -39.45 -48.39 1.96 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.765 1.024 . . . . 10.0 113.765 -177.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.455 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -173.26 170.85 4.2 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.216 -0.29 . . . . 10.0 110.216 -179.404 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -75.64 -66.3 0.79 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.998 0.427 . . . . 10.0 109.888 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.425 HD12 HG12 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -144.36 -73.55 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.092 179.763 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.425 HG12 HD12 ' A' ' 84' ' ' LEU . 2.8 p -157.45 129.94 4.25 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.007 -0.368 . . . . 10.0 110.007 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 4.8 Cg_exo -69.37 155.68 66.55 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 122.625 2.217 . . . . 10.0 111.875 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.425 ' HD3' ' O ' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.598 -0.715 . . . . 10.0 109.856 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.803 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.432 -0.529 0 O4'-C1'-C2' 107.034 0.849 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.803 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-N19 108.741 1.177 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.867 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 O4'-C1'-N19 108.998 1.497 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.867 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 O4'-C1'-N19 108.731 1.164 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.773 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C1'-N19 108.512 0.891 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.773 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 O4'-C1'-C2' 107.233 1.03 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 1.005 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.511 -0.7 0 O4'-C1'-N19 109.398 1.998 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 1.005 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 O4'-C1'-N19 108.918 1.398 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.464 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.419 -1.337 0 O4'-C1'-N19 109.419 2.024 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.731 H2'' HG21 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.421 -1.196 0 O4'-C1'-N19 109.637 2.296 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.443 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 O3'-P-O5' 100.698 -1.738 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.518 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C2'-C3'-O3' 113.162 0.949 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.595 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.995 0 C2'-C3'-O3' 112.888 0.848 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.926 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 O4'-C1'-C2' 107.076 0.888 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.15 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.443 0.89 0 O4'-C1'-N19 109.722 2.403 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.15 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.45 2.335 2 N19-C1'-C2' 103.893 -6.442 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.637 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-N19 109.303 1.878 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.821 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 O4'-C1'-N19 108.666 1.083 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.873 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.584 0 O4'-C1'-C2' 107.183 0.985 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.873 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O4'-C1'-C2' 107.35 1.136 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.48 ' C8 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 O4'-C1'-C2' 107.268 1.062 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.677 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.42 -1.259 0 O4'-C1'-N19 109.308 1.884 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.714 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O3'-P-O5' 100.934 -1.613 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-N19 109.124 1.655 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . 0.446 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-N19 108.962 1.452 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.577 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 O3'-P-O5' 101.359 -1.39 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.577 ' C8 ' H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-C2' 107.09 0.9 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.522 ' C6 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O4'-C1'-N19 109.04 1.55 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.458 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O4'-C1'-N19 108.786 1.232 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.461 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O3'-P-O5' 102.271 -0.91 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.495 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 O4'-C1'-C2' 107.148 0.953 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.495 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 O4'-C1'-C2' 107.066 0.878 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.447 ' SD ' ' HG2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.033 -0.358 . . . . 10.0 110.033 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.778 HG11 " H2'" ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -69.15 -37.87 77.14 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.638 0 N-CA-C 112.078 0.399 . . . . 10.0 112.078 -178.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.591 HE22 ' H73' ' C' ' 20' ' ' ' DT' . 16.6 mt-30 -51.37 -50.25 59.92 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 107.807 -1.183 . . . . 10.0 107.807 177.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.514 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 1.6 t 179.73 168.57 1.18 Allowed 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 114.421 -1.263 . . . . 10.0 109.113 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.431 ' C ' ' H ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -77.8 170.93 15.75 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 123.414 1.578 . . . . 10.0 107.855 -175.156 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.602 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 1.2 m -78.44 16.28 0.84 Allowed 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 110.679 -2.964 . . . . 10.0 109.435 178.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.431 ' H ' ' C ' ' A' ' 5' ' ' CYS . . . -80.65 -146.39 0.05 Allowed 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 114.611 -1.177 . . . . 10.0 108.941 -177.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.409 ' CE1' ' HG2' ' A' ' 42' ' ' ARG . 2.9 t80 -123.15 80.12 1.74 Allowed 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.437 0.637 . . . . 10.0 109.981 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.13 23.08 50.19 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.364 -0.835 . . . . 10.0 114.413 177.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.464 ' SG ' ' HB2' ' A' ' 12' ' ' ASN . 26.5 t -85.74 73.94 10.31 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 111.911 0.337 . . . . 10.0 111.911 -179.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.514 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 17.1 mmtp -72.57 64.09 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.664 -1.236 . . . . 10.0 107.664 176.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.464 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 4.9 m-20 -94.51 29.84 2.16 Favored 'General case' 0 C--N 1.318 -0.774 0 O-C-N 121.939 -0.476 . . . . 10.0 111.544 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -24.2 134.63 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.204 0 O-C-N 125.124 1.515 . . . . 10.0 111.588 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -40.23 109.57 0.12 Allowed 'General case' 0 C--N 1.346 0.422 0 O-C-N 123.809 0.693 . . . . 10.0 111.852 -177.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 42.7 t0 -134.19 108.85 8.51 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 104.853 -2.277 . . . . 10.0 104.853 177.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.461 ' HD3' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -57.28 -15.6 6.53 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 113.999 -1.455 . . . . 10.0 111.631 179.218 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.4 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 8.9 m-20 -72.73 -24.39 60.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.061 -0.972 . . . . 10.0 109.248 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -106.14 149.23 37.9 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 114.946 -1.025 . . . . 10.0 108.251 179.416 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -90.53 75.74 0.89 Allowed 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 121.373 1.382 . . . . 10.0 115.622 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.59 143.53 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 121.76 0.791 . . . . 10.0 111.764 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 p -105.58 166.69 10.27 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 114.886 -1.052 . . . . 10.0 108.619 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -121.03 101.27 7.56 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 117.985 2.587 . . . . 10.0 117.985 -177.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.669 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.72 164.82 11.91 Favored 'General case' 0 C--O 1.195 -1.816 0 N-CA-C 115.196 1.554 . . . . 10.0 115.196 -170.4 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.834 ' HD3' ' H72' ' B' ' 8' ' ' ' DT' . 23.5 mtpt -96.21 165.03 12.42 Favored 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 119.078 -1.049 . . . . 10.0 111.513 177.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.826 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.5 m-85 -58.76 158.17 17.05 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 118.58 0.627 . . . . 10.0 110.698 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.666 ' HB3' HD13 ' A' ' 72' ' ' LEU . 41.2 Cg_endo -79.72 68.03 8.42 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.826 2.351 . . . . 10.0 108.719 177.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.695 HD21 ' HG3' ' A' ' 49' ' ' LYS . 9.1 mt -49.37 -38.42 28.48 Favored 'General case' 0 CA--C 1.504 -0.816 0 CA-C-N 112.401 -2.181 . . . . 10.0 115.506 -176.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.3 p -88.41 2.49 52.57 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 110.07 -3.241 . . . . 10.0 113.029 -175.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.431 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.29 59.58 46.41 Favored Pre-proline 0 N--CA 1.448 -0.546 0 N-CA-C 105.528 -2.026 . . . . 10.0 105.528 174.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.478 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 7.5 Cg_endo -47.41 -56.44 3.06 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.991 3.127 . . . . 10.0 116.412 -174.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.75 -44.23 63.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 118.569 0.622 . . . . 10.0 109.773 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.415 HD21 ' O ' ' A' ' 76' ' ' ALA . 1.8 tm? -70.39 -33.73 71.74 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.92 -1.037 . . . . 10.0 108.45 179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.826 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 24.6 t -63.08 -37.57 87.73 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 106.943 -1.503 . . . . 10.0 106.943 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -26.06 65.44 Favored 'General case' 0 N--CA 1.434 -1.25 0 N-CA-C 113.48 0.919 . . . . 10.0 113.48 -176.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.481 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -73.63 -23.14 59.85 Favored 'General case' 0 CA--C 1.498 -1.041 0 C-N-CA 115.789 -2.364 . . . . 10.0 108.582 179.282 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.68 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.1 m0 -57.58 -30.78 65.56 Favored 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 106.267 -1.753 . . . . 10.0 106.267 178.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -54.25 -49.0 70.53 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 123.946 1.832 . . . . 10.0 109.879 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -55.28 -35.83 65.46 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 110.192 -3.186 . . . . 10.0 112.468 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.38 -13.3 49.84 Favored 'General case' 0 C--N 1.312 -1.046 0 C-N-CA 120.422 -0.511 . . . . 10.0 110.976 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 36' ' ' TRP . 12.5 t -91.83 37.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 122.53 1.157 . . . . 10.0 108.015 173.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.3 13.82 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.872 1.804 . . . . 10.0 115.872 -177.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.437 ' HA ' ' HD2' ' A' ' 42' ' ' ARG . 3.5 tpt180 -97.57 148.47 23.24 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 121.274 -0.891 . . . . 10.0 111.729 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.9 tttm -52.38 -44.58 65.37 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.136 0.493 . . . . 10.0 110.042 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -82.36 64.14 6.88 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.378 -0.828 . . . . 10.0 110.579 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.482 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 15.5 t80 -57.09 118.65 5.23 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.2 -1.037 . . . . 10.0 108.2 178.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.602 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -60.98 -172.32 0.04 OUTLIER Pre-proline 0 C--O 1.215 -0.735 0 CA-C-N 115.037 -0.983 . . . . 10.0 111.086 179.678 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.784 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 74.7 Cg_exo -44.78 177.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 122.823 2.349 . . . . 10.0 112.705 178.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.58 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 34.5 p -82.12 -155.12 0.13 Allowed 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 102.649 -3.093 . . . . 10.0 102.649 172.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.695 ' HG3' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -90.46 0.0 57.48 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 112.627 -2.079 . . . . 10.0 114.107 -173.77 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.724 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 68.4 m-85 -79.17 -32.65 44.26 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 105.664 -1.976 . . . . 10.0 105.664 173.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.784 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 14.4 p -61.66 172.58 1.2 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 120.571 1.532 . . . . 10.0 109.391 175.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.648 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -109.55 159.58 16.96 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.377 -1.283 . . . . 10.0 110.223 -178.665 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.648 HD12 ' C ' ' A' ' 52' ' ' SER . 2.8 mp -129.68 158.54 42.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 N-CA-C 107.541 -1.281 . . . . 10.0 107.541 -176.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.533 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.9 p -106.5 155.82 19.2 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 119.957 1.253 . . . . 10.0 112.214 178.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.693 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 13.2 p -49.74 -42.34 45.95 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 118.311 2.708 . . . . 10.0 118.311 -173.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -14.7 2.79 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 114.556 1.317 . . . . 10.0 114.556 -176.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.56 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 85.9 m-70 -83.74 -17.18 42.11 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 114.178 1.177 . . . . 10.0 114.178 -177.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.558 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -125.18 174.74 7.87 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 108.986 -0.746 . . . . 10.0 108.986 -179.589 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.19 140.63 49.34 Favored Pre-proline 0 N--CA 1.425 -1.677 0 N-CA-C 107.885 -1.154 . . . . 10.0 107.885 178.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.556 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 8.3 Cg_endo -48.47 -29.93 14.72 Favored 'Trans proline' 0 C--N 1.33 -0.43 0 C-N-CA 123.48 2.786 . . . . 10.0 112.395 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.565 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 1.7 m-20 -57.48 -49.56 75.89 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.939 -1.482 . . . . 10.0 109.305 177.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.558 ' CB ' ' HG2' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -92.77 4.87 52.99 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 114.235 -1.348 . . . . 10.0 113.519 -174.491 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.693 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 0.4 OUTLIER -35.33 -54.6 0.65 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 114.137 1.162 . . . . 10.0 114.137 179.666 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.512 ' HD2' ' OP1' ' B' ' 8' ' ' ' DT' . 10.9 pttp -176.71 -138.32 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 118.512 0.596 . . . . 10.0 112.435 -178.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.557 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 3.4 ptm180 -63.25 -14.18 46.44 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.628 0.603 . . . . 10.0 112.628 -177.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.411 ' OE1' ' HG3' ' A' ' 64' ' ' LYS . 4.4 mp0 -86.38 6.7 28.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.937 0.399 . . . . 10.0 109.957 178.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.784 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.3 t -66.73 -101.86 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.359 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -101.66 -69.55 0.78 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.693 0.282 . . . . 10.0 111.264 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -102.5 -70.74 0.74 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.678 -0.409 . . . . 10.0 111.831 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.455 ' NZ ' " H5'" ' C' ' 30' ' ' ' DA' . 0.0 OUTLIER -145.98 2.98 0.92 Allowed 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.397 0.517 . . . . 10.0 112.397 -179.057 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.784 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -144.23 -167.04 2.52 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-O 118.467 -0.778 . . . . 10.0 109.352 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.704 HD12 HD13 ' A' ' 71' ' ' LEU . 3.9 mp -63.78 -173.95 0.09 Allowed 'General case' 0 N--CA 1.482 1.162 0 CA-C-O 122.67 1.224 . . . . 10.0 110.271 -175.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.633 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -88.46 106.03 18.0 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 104.008 -2.59 . . . . 10.0 104.008 170.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.431 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -49.81 -7.09 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 116.316 1.969 . . . . 10.0 116.316 -177.846 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -108.71 16.05 23.16 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.979 176.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.415 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -137.87 143.72 41.04 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 123.589 1.662 . . . . 10.0 109.925 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.415 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -147.11 148.77 33.24 Favored Pre-proline 0 CA--C 1.538 0.518 0 CA-C-N 110.674 -2.966 . . . . 10.0 108.719 -177.499 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.561 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 1.6 Cg_endo -44.96 120.65 3.04 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 123.595 2.863 . . . . 10.0 108.148 177.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t -123.97 -10.27 7.69 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 113.75 -1.568 . . . . 10.0 109.774 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.467 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.9 OUTLIER -94.61 6.74 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 115.823 -0.626 . . . . 10.0 111.642 -176.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.56 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.8 m-30 -40.05 -50.41 2.58 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 113.731 1.011 . . . . 10.0 113.731 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -169.04 160.45 9.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.605 0.24 . . . . 10.0 110.578 -179.353 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -72.3 -50.42 27.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.519 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.45 -70.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.675 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.464 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.4 p -151.8 132.05 7.22 Favored Pre-proline 0 N--CA 1.45 -0.457 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.997 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 4.2 Cg_exo -72.14 155.58 56.51 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.341 2.027 . . . . 10.0 112.004 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.093 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.93 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.513 -0.461 0 O4'-C1'-C2' 106.928 0.753 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.93 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-N19 108.822 1.277 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.829 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.028 0 O4'-C1'-N19 108.643 1.053 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.829 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.052 0 O4'-C4'-C3' 104.527 -1.073 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.763 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O4'-C4'-C3' 104.773 -0.827 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.763 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 O4'-C1'-C2' 107.298 1.089 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 1.024 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 O4'-C1'-N19 109.351 1.939 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 1.024 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.521 -0.709 0 C5'-C4'-C3' 112.802 -1.265 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.462 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.422 -1.134 0 O4'-C1'-N19 109.424 2.03 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.778 " H2'" HG11 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.423 -1.047 0 O4'-C1'-N19 109.981 2.726 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.529 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.1 0 O3'-P-O5' 100.36 -1.916 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.529 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 P-O5'-C5' 119.187 -1.071 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.63 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C5'-C4'-C3' 116.039 0.892 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.87 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.603 0 O4'-C1'-C2' 107.167 0.97 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.124 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.018 0 O4'-C1'-N19 109.771 2.464 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.124 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.453 2.517 2 N19-C1'-C2' 104.099 -6.313 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.725 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O4'-C1'-N19 109.219 1.773 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.763 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C4'-C3' 104.458 -1.142 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.846 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 O4'-C1'-N19 108.459 0.824 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.846 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 O4'-C1'-C2' 107.485 1.259 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.529 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.423 -1.069 0 O4'-C1'-N19 108.837 1.297 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.724 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.42 -1.256 0 O4'-C1'-N19 109.238 1.797 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.697 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O3'-P-O5' 100.454 -1.866 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 O4'-C1'-N19 108.955 1.444 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . 0.47 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 O4'-C1'-N19 108.978 1.472 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.47 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 O4'-C1'-N19 108.961 1.451 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.665 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C4'-C3' 104.69 -0.91 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.665 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 O4'-C1'-C2' 107.099 0.908 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.638 H2'' ' C8 ' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O4'-C1'-N19 108.629 1.037 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.638 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-N19 109.088 1.61 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.555 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 O4'-C1'-C2' 107.11 0.918 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.555 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 O4'-C1'-C2' 106.877 0.706 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.408 ' SD ' ' HB2' ' A' ' 3' ' ' GLN . 13.8 ptp . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 109.878 -0.416 . . . . 10.0 109.878 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.558 HG22 ' OP2' ' B' ' 11' ' ' ' DG' . 32.9 m -79.68 -14.63 13.26 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.493 0 C-N-CA 120.873 -0.331 . . . . 10.0 110.274 179.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.492 ' NE2' ' H73' ' C' ' 20' ' ' ' DT' . 43.9 mt-30 -50.85 -64.23 0.87 Allowed 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 123.819 0.699 . . . . 10.0 110.4 -178.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.616 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 176.08 171.56 0.39 Allowed 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.37 0.419 . . . . 10.0 111.207 178.536 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.05 163.66 24.02 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 107.096 -1.446 . . . . 10.0 107.096 -177.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.576 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 7.5 t -71.93 2.31 5.8 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 113.412 -1.722 . . . . 10.0 111.709 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.84 -150.54 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.885 0.85 . . . . 10.0 112.625 178.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.606 ' CE1' ' HD3' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -114.42 73.65 0.84 Allowed 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 121.239 -0.913 . . . . 10.0 109.381 -178.429 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.52 21.73 53.05 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.537 -0.839 . . . . 10.0 114.485 178.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 36.6 t -80.84 75.24 7.78 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 117.636 0.718 . . . . 10.0 112.145 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.616 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 17.5 mttt -72.17 65.33 0.58 Allowed 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.558 -0.904 . . . . 10.0 108.558 176.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -88.27 31.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.129 -0.357 . . . . 10.0 111.459 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -24.9 134.06 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.9 0 O-C-N 124.526 1.141 . . . . 10.0 111.706 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.53 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -44.35 111.05 0.26 Allowed 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.962 0.886 . . . . 10.0 111.378 -178.368 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.448 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 51.5 t0 -136.59 109.7 7.75 Favored 'General case' 0 N--CA 1.435 -1.206 0 CA-C-N 113.282 -1.781 . . . . 10.0 106.239 177.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -15.98 38.96 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.703 0.763 . . . . 10.0 111.09 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.448 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -72.86 -24.66 60.9 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 114.707 -1.133 . . . . 10.0 109.248 179.361 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -103.11 147.38 34.04 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 114.578 -1.192 . . . . 10.0 108.373 178.718 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -91.46 75.92 0.62 Allowed 'Trans proline' 0 CA--C 1.533 0.461 0 N-CA-C 116.48 1.685 . . . . 10.0 116.48 -177.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 m -143.98 145.89 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.38 0.61 . . . . 10.0 111.409 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 p -105.36 166.63 10.29 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.337 -0.847 . . . . 10.0 108.725 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.53 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -116.42 102.22 9.33 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 117.189 2.292 . . . . 10.0 117.189 -176.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.731 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.29 161.24 14.97 Favored 'General case' 0 C--O 1.2 -1.543 0 N-CA-C 114.926 1.454 . . . . 10.0 114.926 -171.063 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.595 ' HB2' ' H73' ' B' ' 8' ' ' ' DT' . 17.1 mtpt -94.81 163.16 13.46 Favored 'General case' 0 C--N 1.312 -1.064 0 C-N-CA 119.356 -0.938 . . . . 10.0 110.972 177.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.856 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.1 m-85 -58.48 158.1 16.11 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 118.323 0.51 . . . . 10.0 111.162 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.651 ' HB3' HD13 ' A' ' 72' ' ' LEU . 59.7 Cg_endo -78.21 67.05 8.28 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.057 2.505 . . . . 10.0 108.933 178.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.487 HD21 ' HG3' ' A' ' 49' ' ' LYS . 16.3 mt -49.23 -39.04 28.53 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 112.133 -2.303 . . . . 10.0 115.908 -176.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 p -89.53 2.49 54.53 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 110.242 -3.163 . . . . 10.0 112.937 -175.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.478 ' HD3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -131.63 58.61 39.18 Favored Pre-proline 0 N--CA 1.447 -0.615 0 N-CA-C 105.517 -2.031 . . . . 10.0 105.517 174.341 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.401 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 9.5 Cg_endo -48.5 -50.54 12.08 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.886 3.058 . . . . 10.0 115.729 -174.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -47.6 63.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.454 -0.573 . . . . 10.0 109.454 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.478 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . 1.2 tm? -69.76 -34.02 73.21 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 108.394 -0.965 . . . . 10.0 108.394 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.856 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 8.8 t -62.69 -37.06 84.98 Favored 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 107.742 -1.207 . . . . 10.0 107.742 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -69.36 -23.91 63.82 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 113.794 1.035 . . . . 10.0 113.794 -176.316 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -75.73 -22.57 56.43 Favored 'General case' 0 CA--C 1.491 -1.319 0 C-N-CA 116.434 -2.106 . . . . 10.0 108.638 179.21 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.692 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.3 m0 -58.83 -26.81 64.51 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 105.265 -2.124 . . . . 10.0 105.265 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -55.23 -48.87 73.28 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-O 123.807 1.765 . . . . 10.0 109.866 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -55.82 -32.44 63.57 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 110.425 -3.08 . . . . 10.0 112.785 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.407 ' O ' ' HD2' ' A' ' 81' ' ' PHE . . . -87.84 -16.97 32.57 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 120.397 -0.521 . . . . 10.0 110.747 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 36' ' ' TRP . 16.2 t -91.85 34.79 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 N-CA-C 107.659 -1.237 . . . . 10.0 107.659 174.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.3 12.6 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.303 1.594 . . . . 10.0 115.303 -176.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.606 ' HD3' ' CE1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -80.09 145.95 32.15 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.888 -0.508 . . . . 10.0 109.798 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.4 tttt -53.69 -54.38 38.69 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.535 0.683 . . . . 10.0 109.797 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.456 ' OD1' ' HG3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -82.82 66.28 8.36 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 115.291 -0.868 . . . . 10.0 108.957 179.176 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.623 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -50.25 120.87 4.88 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.65 -0.87 . . . . 10.0 108.65 178.342 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.623 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -58.63 -172.77 0.04 OUTLIER Pre-proline 0 C--O 1.22 -0.484 0 C-N-CA 124.464 1.105 . . . . 10.0 111.282 179.573 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.747 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 94.4 Cg_exo -44.74 175.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.967 1.778 . . . . 10.0 112.383 179.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.631 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 41.3 p -83.58 -153.35 0.13 Allowed 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 103.598 -2.742 . . . . 10.0 103.598 172.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.521 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.08 -2.09 58.05 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 112.387 -2.188 . . . . 10.0 113.647 -174.083 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.717 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 83.8 m-85 -78.04 -31.04 50.15 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 105.253 -2.128 . . . . 10.0 105.253 174.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.747 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 14.1 p -64.89 173.31 2.37 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 120.648 1.567 . . . . 10.0 109.39 174.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.679 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -111.91 162.58 15.17 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.226 -0.897 . . . . 10.0 109.971 -178.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.679 HD12 ' C ' ' A' ' 52' ' ' SER . 2.2 mp -131.06 159.1 43.28 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 C-N-CA 124.725 1.21 . . . . 10.0 108.23 -175.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.509 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.1 p -106.44 152.73 23.25 Favored 'General case' 0 CA--C 1.555 1.136 0 CA-C-N 119.439 1.018 . . . . 10.0 112.108 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.731 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 24.7 p -47.97 -42.34 27.4 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 118.689 2.848 . . . . 10.0 118.689 -173.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -14.75 2.7 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 114.287 1.217 . . . . 10.0 114.287 -176.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.446 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 74.7 m-70 -84.13 -16.98 41.63 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 114.568 1.322 . . . . 10.0 114.568 -177.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.502 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -126.65 174.16 8.93 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 118.323 0.51 . . . . 10.0 109.707 -179.206 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.63 141.6 60.55 Favored Pre-proline 0 N--CA 1.431 -1.387 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.62 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 10.2 Cg_endo -51.24 -32.75 42.09 Favored 'Trans proline' 0 C--N 1.324 -0.727 0 C-N-CA 123.433 2.756 . . . . 10.0 112.921 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -60.94 -43.75 98.21 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 114.553 -1.203 . . . . 10.0 108.722 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.488 ' OG ' ' HB2' ' A' ' 73' ' ' LYS . 1.5 t -93.31 3.17 56.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.815 -1.539 . . . . 10.0 114.085 -174.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.62 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.9 OUTLIER -36.79 -60.11 0.64 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.431 1.271 . . . . 10.0 114.431 -179.227 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 1.1 pttt -168.97 -142.31 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 118.398 0.544 . . . . 10.0 112.126 -178.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.454 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 2.9 ptm180 -58.12 -14.5 6.95 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.121 0.786 . . . . 10.0 113.121 -178.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -85.06 7.6 20.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.134 0.492 . . . . 10.0 109.727 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.797 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.7 t -70.88 -105.92 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.411 -0.813 . . . . 10.0 111.906 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.451 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -103.1 -69.34 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.381 0.511 . . . . 10.0 112.381 -178.701 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -100.49 -71.94 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.99 -0.55 . . . . 10.0 112.359 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' HB2' ' HE2' ' A' ' 70' ' ' LYS . 3.4 tppt? -145.72 -2.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.665 -0.414 . . . . 10.0 111.714 -178.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.797 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -140.42 -161.74 1.25 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.193 -0.669 . . . . 10.0 109.193 -178.709 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.718 HD12 HD13 ' A' ' 71' ' ' LEU . 4.2 mp -63.33 -169.0 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 123.691 1.71 . . . . 10.0 110.655 -177.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.679 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -86.2 101.72 13.27 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 103.066 -2.939 . . . . 10.0 103.066 171.773 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.404 ' HB2' HH11 ' A' ' 29' ' ' ARG . 0.1 OUTLIER -50.62 -10.89 0.07 Allowed 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 115.16 1.541 . . . . 10.0 115.16 -177.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.23 18.38 21.15 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.903 -1.044 . . . . 10.0 111.096 176.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.6 144.86 34.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 123.971 1.843 . . . . 10.0 110.722 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.491 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -145.3 150.96 46.51 Favored Pre-proline 0 N--CA 1.45 -0.472 0 CA-C-N 110.445 -3.071 . . . . 10.0 108.015 -178.225 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.496 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 1.8 Cg_endo -46.33 121.46 4.62 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.369 2.713 . . . . 10.0 108.099 177.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.12 -12.23 7.44 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.043 -1.435 . . . . 10.0 109.852 177.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.444 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 1.2 mm -89.1 6.68 3.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.181 -176.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.648 ' HE2' HG22 ' A' ' 40' ' ' VAL . 2.6 m-30 -40.0 -50.73 2.56 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.016 1.117 . . . . 10.0 114.016 -177.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.404 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -171.8 157.25 4.5 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.785 0.326 . . . . 10.0 110.961 -178.513 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -68.12 -54.27 19.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.228 -0.897 . . . . 10.0 109.413 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -161.12 -73.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.987 -0.552 . . . . 10.0 110.337 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.441 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 4.2 p -151.23 136.35 10.37 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.619 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 16.2 Cg_exo -66.65 176.0 4.7 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.001 2.467 . . . . 10.0 111.805 178.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.931 0 CA-C-O 117.979 -1.01 . . . . 10.0 109.721 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.851 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.432 -0.517 0 O4'-C1'-C2' 106.913 0.739 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.851 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-N19 109.12 1.65 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.858 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O4'-C1'-N19 109.076 1.595 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.858 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.049 0 O4'-C1'-N19 108.893 1.366 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.673 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.591 0 O4'-C1'-C2' 107.025 0.841 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.771 " H1'" ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C1'-N19 108.728 1.16 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 1.042 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 O4'-C1'-N19 109.355 1.943 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 1.042 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C5'-C4'-C3' 112.797 -1.269 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.459 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.421 -1.181 0 O4'-C1'-N19 109.451 2.064 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.525 H2'' ' OP2' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.227 0 O4'-C1'-N19 109.517 2.146 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.708 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.065 0 O3'-P-O5' 100.806 -1.681 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.708 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 C2'-C3'-O3' 113.641 1.126 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.693 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-C2' 106.991 0.81 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.825 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 O4'-C1'-C2' 107.217 1.015 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.115 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 0.977 0 O4'-C1'-N19 109.81 2.512 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.115 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.453 2.518 2 N19-C1'-C2' 103.904 -6.435 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.73 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 O4'-C1'-N19 109.193 1.741 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.764 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.671 0 O4'-C1'-N19 108.767 1.209 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.795 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 O4'-C1'-C2' 107.063 0.876 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.795 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O4'-C1'-C2' 107.539 1.308 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.49 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C1'-C2' 107.394 1.176 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.696 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.419 -1.295 0 O4'-C1'-N19 109.199 1.748 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.717 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O3'-P-O5' 100.806 -1.681 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 O4'-C1'-N19 109.318 1.898 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . 0.526 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.061 0 O4'-C1'-N19 108.812 1.265 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.627 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 O3'-P-O5' 101.308 -1.417 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.679 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C1'-C2' 107.142 0.947 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.679 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-N19 108.976 1.471 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.478 H2'' ' C8 ' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 O4'-C1'-N19 108.718 1.148 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.5 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C4'-C3' 104.452 -1.148 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.52 H2'' ' C6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 O4'-C1'-C2' 107.174 0.976 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.52 ' C6 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C1'-C2' 107.054 0.867 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.506 ' SD ' ' H72' ' C' ' 20' ' ' ' DT' . 58.9 mtp . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 110.057 -0.349 . . . . 10.0 110.057 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.741 HG21 " C2'" ' B' ' 10' ' ' ' DG' . 0.6 OUTLIER -71.62 -28.37 31.02 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.476 0 N-CA-C 109.014 -0.735 . . . . 10.0 109.014 177.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.507 ' NE2' ' H73' ' C' ' 20' ' ' ' DT' . 17.5 mt-30 -62.47 -44.19 96.99 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.632 -1.247 . . . . 10.0 107.632 177.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.662 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -175.28 158.14 2.32 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.247 -0.888 . . . . 10.0 110.51 178.778 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.518 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 4.1 m -79.37 164.94 23.63 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 106.894 -1.521 . . . . 10.0 106.894 -176.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.566 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 5.4 t -74.77 2.42 10.13 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 113.273 -1.785 . . . . 10.0 111.613 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.92 -147.79 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.69 0.757 . . . . 10.0 112.49 177.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.517 ' CD1' ' HD3' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -112.2 69.28 0.69 Allowed 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.526 -0.916 . . . . 10.0 108.526 -179.303 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.87 34.7 8.79 Favored Glycine 0 N--CA 1.444 -0.804 0 N-CA-C 115.346 0.898 . . . . 10.0 115.346 177.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.4 t -90.67 77.3 6.37 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 117.75 0.775 . . . . 10.0 113.024 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.662 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 68.6 mttt -75.09 63.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.851 -1.166 . . . . 10.0 107.851 175.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.26 26.35 1.22 Allowed 'General case' 0 C--N 1.318 -0.788 0 O-C-N 121.473 -0.767 . . . . 10.0 111.275 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -24.94 129.57 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.94 1.4 . . . . 10.0 110.471 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.418 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -31.49 108.98 0.05 Allowed 'General case' 0 N--CA 1.471 0.598 0 O-C-N 124.169 0.918 . . . . 10.0 113.379 -176.041 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.418 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 18.6 t70 -137.08 108.7 6.97 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 106.108 -1.812 . . . . 10.0 106.108 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -22.63 66.58 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.12 -0.945 . . . . 10.0 110.432 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -61.76 -27.44 68.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.438 -1.256 . . . . 10.0 108.871 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.522 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -103.91 142.29 24.29 Favored Pre-proline 0 N--CA 1.447 -0.589 0 CA-C-N 114.237 -1.347 . . . . 10.0 107.943 178.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -88.22 77.66 1.51 Allowed 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 121.553 1.502 . . . . 10.0 115.459 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.522 HG13 ' HG3' ' A' ' 18' ' ' LYS . 1.8 m -144.92 146.92 19.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 121.222 0.534 . . . . 10.0 111.975 177.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.04 168.53 9.07 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 108.058 -1.09 . . . . 10.0 108.058 176.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.418 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -116.03 102.75 9.92 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 117.478 2.399 . . . . 10.0 117.478 -176.595 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.668 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.18 157.97 17.47 Favored 'General case' 0 C--O 1.196 -1.727 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 -172.229 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.527 ' HD3' ' H72' ' B' ' 8' ' ' ' DT' . 5.5 mtpt -95.91 165.53 12.23 Favored 'General case' 0 C--N 1.311 -1.068 0 C-N-CA 119.083 -1.047 . . . . 10.0 111.839 178.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.868 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.6 m-85 -56.62 156.47 12.0 Favored Pre-proline 0 N--CA 1.47 0.55 0 CA-C-N 118.913 0.778 . . . . 10.0 111.749 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.632 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 63.9 Cg_endo -77.85 67.63 7.94 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.092 2.528 . . . . 10.0 109.12 177.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.603 HD21 ' HG3' ' A' ' 49' ' ' LYS . 8.6 mt -50.22 -36.69 31.95 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-O 124.389 2.042 . . . . 10.0 115.236 -176.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.1 p -88.43 1.05 55.53 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 109.554 -3.476 . . . . 10.0 113.093 -175.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.537 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.78 59.19 44.29 Favored Pre-proline 0 N--CA 1.441 -0.877 0 N-CA-C 105.916 -1.883 . . . . 10.0 105.916 175.035 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.469 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.4 Cg_endo -47.15 -55.84 3.56 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.871 3.047 . . . . 10.0 115.933 -174.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m -50.97 -44.93 60.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.418 0.628 . . . . 10.0 109.95 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.461 HD21 ' O ' ' A' ' 76' ' ' ALA . 1.1 tm? -70.01 -35.79 74.62 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.981 -1.009 . . . . 10.0 108.477 179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.868 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 35.4 t -62.19 -36.91 83.34 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 106.965 -1.494 . . . . 10.0 106.965 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -26.12 65.49 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 113.826 1.047 . . . . 10.0 113.826 -176.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -74.71 -22.08 59.03 Favored 'General case' 0 CA--C 1.493 -1.239 0 C-N-CA 115.774 -2.371 . . . . 10.0 109.187 178.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.631 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.7 m0 -58.53 -28.74 65.73 Favored 'General case' 0 N--CA 1.437 -1.111 0 N-CA-C 105.865 -1.902 . . . . 10.0 105.865 178.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -55.18 -47.96 74.48 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 123.628 1.68 . . . . 10.0 110.096 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.95 -34.9 63.68 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 110.643 -2.98 . . . . 10.0 112.38 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.423 ' O ' ' HD2' ' A' ' 81' ' ' PHE . . . -87.33 -16.18 35.82 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 120.382 -0.527 . . . . 10.0 110.055 -179.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 36' ' ' TRP . 26.2 t -91.93 35.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 107.55 -1.278 . . . . 10.0 107.55 174.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.61 9.56 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 114.488 -1.233 . . . . 10.0 114.148 -178.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.517 ' HD3' ' CD1' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -73.57 135.68 43.94 Favored 'General case' 0 C--N 1.312 -1.056 0 O-C-N 122.15 -0.344 . . . . 10.0 110.359 179.615 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.655 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -51.84 -47.32 64.44 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.568 0.699 . . . . 10.0 109.505 178.685 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.655 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 0.6 OUTLIER -87.21 66.5 9.28 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 114.911 -1.04 . . . . 10.0 108.704 179.12 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.65 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 1.8 t80 -49.36 120.23 3.94 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.423 -0.808 . . . . 10.0 109.531 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.65 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -61.22 -172.08 0.04 OUTLIER Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 114.634 -1.166 . . . . 10.0 110.242 179.088 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.744 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 85.0 Cg_exo -45.4 175.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.123 1.882 . . . . 10.0 112.407 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.634 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 41.0 p -82.73 -153.65 0.12 Allowed 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 103.435 -2.802 . . . . 10.0 103.435 173.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.603 ' HG3' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -90.08 -4.64 57.24 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 111.552 -2.567 . . . . 10.0 113.765 -173.61 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.71 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 58.3 m-85 -77.43 -30.92 53.65 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 105.145 -2.168 . . . . 10.0 105.145 174.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.744 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 15.3 p -64.47 173.59 2.05 Favored 'General case' 0 C--N 1.314 -0.959 0 C-N-CA 117.572 -1.651 . . . . 10.0 109.072 174.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.594 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.67 163.2 13.7 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.52 -1.218 . . . . 10.0 110.209 -178.044 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.594 HD12 ' C ' ' A' ' 52' ' ' SER . 3.4 mp -131.56 157.78 43.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 107.373 -1.343 . . . . 10.0 107.373 -176.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.588 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 14.0 p -107.14 160.3 15.68 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.842 1.201 . . . . 10.0 111.352 178.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.668 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.5 p -56.3 -37.33 69.75 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 118.863 2.912 . . . . 10.0 118.863 -172.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -14.64 2.16 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.132 1.16 . . . . 10.0 114.132 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.479 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 92.8 m-70 -86.76 -15.59 38.92 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 114.745 1.387 . . . . 10.0 114.745 -177.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.526 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -138.58 140.8 39.15 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 118.418 0.554 . . . . 10.0 111.441 -178.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.407 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 1.1 p -43.5 136.08 3.31 Favored Pre-proline 0 N--CA 1.43 -1.436 0 CA-C-N 114.186 -1.37 . . . . 10.0 110.847 179.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.706 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 8.3 Cg_endo -49.8 -29.23 19.76 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 122.971 2.447 . . . . 10.0 112.158 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.662 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -61.1 -48.6 80.93 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 113.508 -1.678 . . . . 10.0 107.5 175.118 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.616 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -91.19 6.38 45.32 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 114.06 1.133 . . . . 10.0 114.06 -174.79 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.706 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -38.71 -59.99 0.88 Allowed 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.896 -1.047 . . . . 10.0 113.545 179.787 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.633 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 15.0 pttp -175.49 -135.36 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.374 0.509 . . . . 10.0 112.374 -177.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -58.46 -13.4 5.43 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.385 0.674 . . . . 10.0 112.784 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -83.08 5.06 23.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.702 0.287 . . . . 10.0 110.431 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.857 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 2.4 t -68.63 -110.36 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.362 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.459 ' N ' ' OG ' ' A' ' 67' ' ' SER . 9.7 t30 -101.4 -69.04 0.79 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.174 0.511 . . . . 10.0 111.495 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -94.63 -74.22 0.55 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.191 0.812 . . . . 10.0 113.191 -177.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.415 ' HB2' ' HE2' ' A' ' 70' ' ' LYS . 1.7 tppt? -147.99 0.53 0.63 Allowed 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.056 0.391 . . . . 10.0 112.056 -178.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.857 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -139.38 -162.96 1.4 Allowed 'General case' 0 C--O 1.212 -0.888 0 CA-C-O 118.241 -0.885 . . . . 10.0 109.407 -179.557 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.721 HD12 HD13 ' A' ' 71' ' ' LEU . 3.1 mp -65.29 -172.15 0.09 Allowed 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 122.909 1.338 . . . . 10.0 110.458 -176.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.662 ' HD3' ' O ' ' A' ' 61' ' ' ASP . 2.1 mmmm -89.04 103.11 15.75 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 103.73 -2.692 . . . . 10.0 103.73 170.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.537 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 2.1 pm0 -50.6 -4.57 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 115.915 1.82 . . . . 10.0 115.915 -178.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.09 17.8 21.27 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.576 176.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.461 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -143.66 146.65 33.4 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 123.42 1.581 . . . . 10.0 110.639 -178.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.523 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -148.72 150.32 32.94 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 110.848 -2.887 . . . . 10.0 108.558 -177.514 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.523 ' HD2' HG23 ' A' ' 77' ' ' VAL . 1.5 Cg_endo -46.35 121.73 4.89 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.622 2.882 . . . . 10.0 107.896 177.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -125.46 -10.99 6.87 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.293 -1.321 . . . . 10.0 109.762 176.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -90.14 5.75 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.126 -176.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.479 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 2.6 m-30 -39.35 -51.18 2.07 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.612 0.967 . . . . 10.0 113.612 -177.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.443 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -168.55 160.08 10.66 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 -179.492 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -73.03 -58.92 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.267 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.08 -64.79 0.14 Allowed 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.063 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.464 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.8 p -166.46 132.87 1.96 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.301 -179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 2.6 Cg_exo -73.04 171.27 17.89 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.939 2.426 . . . . 10.0 111.3 177.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.494 ' HD3' ' O ' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.812 -0.613 . . . . 10.0 110.718 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.812 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C4'-C3'-C2' 102.39 -0.81 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.817 H2'' ' H71' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-N19 108.713 1.142 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.817 ' H71' H2'' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-N19 108.658 1.073 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.804 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C1'-N19 108.613 1.017 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.728 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 O4'-C1'-N19 108.56 0.95 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.728 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-N19 108.661 1.076 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.994 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.587 0 O4'-C1'-N19 109.102 1.628 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.994 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-N19 108.918 1.398 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.442 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.239 0 O4'-C1'-N19 109.475 2.094 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.741 " C2'" HG21 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.416 -1.501 0 O4'-C1'-N19 109.473 2.092 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.677 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O3'-P-O5' 99.307 -2.47 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.677 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.005 0 O4'-C1'-N19 108.646 1.057 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.592 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 P-O5'-C5' 119.369 -0.957 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.777 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 O4'-C1'-C2' 107.011 0.828 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.187 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C1'-N19 109.4 2.0 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.187 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.451 2.38 2 N19-C1'-C2' 103.997 -6.377 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.698 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-N19 109.063 1.579 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.723 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C1'-N19 108.624 1.029 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.758 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 O4'-C1'-C2' 107.065 0.878 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.758 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.966 0 N19-C1'-C2' 116.54 1.463 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.533 ' OP2' ' HA ' ' A' ' 47' ' ' PRO . . . . . . . . 0 O5'--C5' 1.424 -0.999 0 O4'-C1'-C2' 107.09 0.9 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.68 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.419 -1.323 0 O4'-C1'-N19 109.336 1.921 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.71 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 O3'-P-O5' 101.011 -1.573 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-N19 109.176 1.72 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . 0.433 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.038 0 O4'-C1'-C2' 107.279 1.072 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.433 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 P-O5'-C5' 119.085 -1.135 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.699 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 O4'-C4'-C3' 104.464 -1.136 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.699 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 O4'-C1'-C2' 107.046 0.86 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.648 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 O4'-C4'-C3' 104.612 -0.988 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.55 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 P-O5'-C5' 119.264 -1.023 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.54 H2'' ' C6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 O4'-C1'-C2' 107.313 1.103 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.54 ' C6 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 O4'-C1'-C2' 107.119 0.926 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.627 ' HA ' ' H8 ' ' B' ' 10' ' ' ' DG' . 2.7 ptp . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.595 HG13 " H3'" ' B' ' 10' ' ' ' DG' . 7.5 m -79.52 -11.12 12.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 112.341 0.497 . . . . 10.0 112.341 -178.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.525 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 17.2 mt-30 -75.79 -68.37 0.58 Allowed 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 118.238 -1.385 . . . . 10.0 110.532 -178.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.578 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 174.41 173.78 0.19 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.022 0.439 . . . . 10.0 111.441 179.117 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.569 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -86.17 161.14 18.99 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 107.021 -1.474 . . . . 10.0 107.021 -177.673 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.561 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 10.6 t -69.67 3.28 2.57 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 113.562 -1.654 . . . . 10.0 112.733 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.71 -152.71 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.806 0.812 . . . . 10.0 112.752 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.436 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 1.0 OUTLIER -108.85 71.33 0.77 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 -178.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.74 28.56 38.13 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.523 -0.846 . . . . 10.0 113.083 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.3 t -83.58 74.33 10.13 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 117.92 0.86 . . . . 10.0 111.671 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.578 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 28.1 mmtp -68.75 63.87 0.11 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.934 -1.136 . . . . 10.0 107.934 176.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.53 30.67 0.7 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 118.585 0.629 . . . . 10.0 112.019 -179.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -22.93 134.68 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 O-C-N 125.248 1.592 . . . . 10.0 111.958 179.619 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.545 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -48.0 113.01 0.65 Allowed 'General case' 0 C--N 1.347 0.471 0 CA-C-O 122.185 0.993 . . . . 10.0 110.031 -178.595 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -140.57 113.69 8.44 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 105.061 -2.2 . . . . 10.0 105.061 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -17.26 37.56 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.669 0.747 . . . . 10.0 110.79 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.98 -27.65 66.77 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.523 -1.217 . . . . 10.0 109.58 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.68 147.66 33.94 Favored Pre-proline 0 C--N 1.328 -0.361 0 N-CA-C 108.454 -0.943 . . . . 10.0 108.454 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -90.69 75.42 0.85 Allowed 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 121.552 1.502 . . . . 10.0 115.867 -177.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.442 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 1.9 m -146.21 149.83 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 121.261 0.553 . . . . 10.0 112.311 178.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.7 p -108.43 168.52 9.26 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.114 -0.948 . . . . 10.0 108.595 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.545 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -120.03 101.51 7.9 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 117.045 2.239 . . . . 10.0 117.045 -177.772 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.708 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.19 163.0 13.38 Favored 'General case' 0 C--O 1.198 -1.61 0 N-CA-C 115.44 1.644 . . . . 10.0 115.44 -170.664 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.66 ' HD3' ' H72' ' B' ' 8' ' ' ' DT' . 24.8 mtpt -95.69 165.02 12.52 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.383 -0.826 . . . . 10.0 112.587 178.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.861 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -59.99 157.55 30.44 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 118.806 0.73 . . . . 10.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.686 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 92.4 Cg_endo -75.98 68.7 6.47 Favored 'Trans proline' 0 CA--C 1.514 -0.483 0 C-N-CA 122.68 2.253 . . . . 10.0 109.329 177.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 27' ' ' LEU . 12.4 mt -50.83 -35.18 31.01 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 124.494 2.092 . . . . 10.0 115.113 -177.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 p -89.84 -1.66 58.04 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 109.304 -3.589 . . . . 10.0 113.231 -176.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.452 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.06 58.58 39.19 Favored Pre-proline 0 N--CA 1.447 -0.622 0 N-CA-C 106.127 -1.805 . . . . 10.0 106.127 175.566 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.509 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 7.3 Cg_endo -47.87 -53.44 6.6 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.766 2.977 . . . . 10.0 115.579 -174.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.8 -46.7 64.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.319 0.58 . . . . 10.0 109.69 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.455 HD22 ' O ' ' A' ' 32' ' ' LEU . 1.4 tm? -71.14 -32.13 68.59 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.268 -1.012 . . . . 10.0 108.268 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.861 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 49.9 t -63.24 -37.58 87.8 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 107.232 -1.395 . . . . 10.0 107.232 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -25.65 66.27 Favored 'General case' 0 N--CA 1.428 -1.528 0 N-CA-C 113.52 0.933 . . . . 10.0 113.52 -176.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.461 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -75.24 -23.62 57.56 Favored 'General case' 0 CA--C 1.491 -1.292 0 C-N-CA 116.643 -2.023 . . . . 10.0 109.21 179.554 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.645 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.4 m0 -57.5 -30.3 65.01 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 105.856 -1.905 . . . . 10.0 105.856 178.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -54.79 -48.62 72.51 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-O 123.418 1.58 . . . . 10.0 110.005 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.45 -35.71 63.29 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 110.647 -2.979 . . . . 10.0 112.5 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.63 -15.18 38.02 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.616 -0.434 . . . . 10.0 110.985 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 36' ' ' TRP . 15.3 t -92.32 35.49 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 107.268 -1.382 . . . . 10.0 107.268 173.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.3 14.33 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 115.707 1.743 . . . . 10.0 115.707 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.421 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -97.14 148.06 23.43 Favored 'General case' 0 C--N 1.314 -0.947 0 O-C-N 121.47 -0.769 . . . . 10.0 111.313 -179.854 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -56.22 -42.6 77.53 Favored 'General case' 0 CA--C 1.517 -0.291 0 O-C-N 123.69 0.619 . . . . 10.0 109.986 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -79.69 63.87 4.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.022 -0.99 . . . . 10.0 109.681 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.513 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 12.6 t80 -62.78 117.87 6.92 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.205 -1.035 . . . . 10.0 108.205 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.569 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -59.38 -173.3 0.04 OUTLIER Pre-proline 0 C--O 1.218 -0.586 0 CA-C-N 114.835 -1.075 . . . . 10.0 110.936 179.161 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.789 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 86.1 Cg_exo -46.79 176.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.656 1.571 . . . . 10.0 112.07 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.568 HG23 " H2'" ' C' ' 21' ' ' ' DG' . 23.7 p -96.92 161.46 13.83 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 102.854 -3.017 . . . . 10.0 102.854 172.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.594 ' HE2' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -27.23 -16.44 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 O-C-N 127.773 3.171 . . . . 10.0 118.083 175.352 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.731 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 56.4 m-85 -75.49 -28.94 59.4 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 104.359 -2.46 . . . . 10.0 104.359 173.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.789 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 5.7 p -65.61 173.86 2.56 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 120.738 1.608 . . . . 10.0 108.624 172.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.62 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -112.21 164.45 13.19 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.108 -0.951 . . . . 10.0 110.502 -179.152 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.62 HD12 ' C ' ' A' ' 52' ' ' SER . 3.4 mp -132.65 159.25 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.942 1.297 . . . . 10.0 108.455 -176.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.565 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 15.2 p -105.53 156.31 18.35 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 119.735 1.152 . . . . 10.0 111.917 179.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.708 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.4 p -52.62 -40.79 63.11 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 118.684 2.846 . . . . 10.0 118.684 -173.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -15.31 1.05 Allowed 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 114.399 1.259 . . . . 10.0 114.399 -177.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.597 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 90.9 m-70 -86.23 -16.36 37.93 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 114.659 1.355 . . . . 10.0 114.659 -177.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.496 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -135.95 137.07 40.94 Favored 'General case' 0 CA--C 1.503 -0.827 0 CA-C-N 118.288 0.495 . . . . 10.0 110.921 -178.483 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 p -41.0 137.27 1.5 Allowed Pre-proline 0 N--CA 1.43 -1.456 0 O-C-N 124.83 1.331 . . . . 10.0 110.901 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.517 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.6 Cg_endo -50.54 -28.18 21.12 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 122.771 2.314 . . . . 10.0 111.765 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.533 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 5.3 m-20 -61.16 -49.84 75.59 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 113.84 -1.527 . . . . 10.0 107.191 174.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.695 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -87.9 6.57 34.97 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 114.003 1.112 . . . . 10.0 114.003 -173.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.525 ' CE1' ' HB2' ' A' ' 55' ' ' SER . 0.6 OUTLIER -39.07 -58.32 1.15 Allowed 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.587 0.958 . . . . 10.0 113.587 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.473 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 11.7 pttp -176.35 -135.58 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 112.695 0.628 . . . . 10.0 112.695 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.458 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 1.6 ptm180 -62.18 -13.69 30.01 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.468 0.544 . . . . 10.0 112.468 -178.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.411 ' OE1' ' HG3' ' A' ' 64' ' ' LYS . 41.2 mp0 -84.24 6.93 20.84 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 178.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.74 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 3.9 t -67.84 -116.98 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.81 -0.632 . . . . 10.0 111.115 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.457 ' N ' ' OG ' ' A' ' 67' ' ' SER . 1.3 m-20 -103.09 -69.84 0.78 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.105 0.409 . . . . 10.0 112.105 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -89.56 -72.3 0.56 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.621 0.6 . . . . 10.0 112.621 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 14.4 tppt? -146.4 -20.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.401 0.519 . . . . 10.0 112.401 -177.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.983 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -124.42 -159.56 0.88 Allowed 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 108.834 -0.802 . . . . 10.0 108.834 -179.771 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.983 HD12 HD13 ' A' ' 71' ' ' LEU . 1.2 mp -62.54 -172.0 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 122.422 1.106 . . . . 10.0 110.041 -176.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.645 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 5.3 mmmm -87.34 102.15 14.24 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 102.928 -2.99 . . . . 10.0 102.928 170.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.452 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -53.08 -3.87 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 115.519 1.674 . . . . 10.0 115.519 -178.186 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -107.33 18.83 21.13 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 114.794 -1.094 . . . . 10.0 109.92 175.603 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.12 143.71 30.53 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 123.61 1.671 . . . . 10.0 109.6 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.462 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -147.61 148.28 30.36 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 110.839 -2.892 . . . . 10.0 107.665 -179.115 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.586 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 1.7 Cg_endo -43.95 118.28 1.53 Allowed 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 123.398 2.732 . . . . 10.0 107.486 177.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.17 -9.24 7.62 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 112.988 -1.914 . . . . 10.0 109.052 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.432 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.7 OUTLIER -96.2 7.61 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-N 115.282 -0.872 . . . . 10.0 110.817 -176.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.597 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.3 m-30 -39.91 -52.89 2.38 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 113.891 1.071 . . . . 10.0 113.891 -177.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -163.57 171.74 15.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.712 0.291 . . . . 10.0 110.779 -179.381 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -79.44 -58.74 3.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.603 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -157.04 -69.23 0.1 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.554 179.153 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.42 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.9 p -152.7 134.23 8.37 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.042 -0.526 . . . . 10.0 109.816 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 6.5 Cg_exo -68.45 174.42 8.32 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.796 2.331 . . . . 10.0 112.036 179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.077 -0.963 . . . . 10.0 109.363 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.926 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 O4'-C1'-C2' 107.009 0.826 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.926 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.016 0 O4'-C1'-N19 108.688 1.11 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.85 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 O4'-C1'-N19 108.935 1.419 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.85 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 O4'-C1'-C2' 107.143 0.948 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.778 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O4'-C1'-N19 108.739 1.174 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.778 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-C2' 107.343 1.13 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.999 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-N19 109.174 1.717 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.999 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 C5'-C4'-C3' 112.268 -1.621 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.584 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.389 0 O4'-C1'-N19 109.712 2.39 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.627 ' H8 ' ' HA ' ' A' ' 1' ' ' MET . . . . . . . . 0 O5'--C5' 1.422 -1.136 0 O3'-P-O5' 99.785 -2.219 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.487 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O3'-P-O5' 101.49 -1.321 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.556 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 C2'-C3'-O3' 112.988 0.885 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.556 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 O4'-C1'-C2' 107.186 0.987 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.891 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 O4'-C1'-C2' 107.045 0.859 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.149 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 O4'-C1'-N19 109.709 2.386 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.149 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.45 2.329 2 N19-C1'-C2' 103.654 -6.591 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.696 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-N19 108.893 1.366 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.754 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O4'-C1'-N19 108.976 1.47 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.754 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 O4'-C1'-C2' 107.235 1.032 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.689 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 O4'-C1'-C2' 107.44 1.218 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.568 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 O4'-C1'-C2' 107.062 0.875 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.724 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.42 -1.235 0 O4'-C1'-N19 109.441 2.051 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.731 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 O4'-C1'-N19 109.189 1.736 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-N19 109.238 1.798 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . 0.525 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.02 0 O4'-C1'-N19 108.976 1.47 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.525 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 P-O5'-C5' 118.841 -1.287 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.605 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-C2' 107.092 0.902 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.605 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 O4'-C1'-N19 109.177 1.722 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.499 H2'' ' C8 ' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-C2' 107.094 0.903 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.499 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 O4'-C4'-C3' 104.615 -0.985 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.456 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 O4'-C1'-C2' 107.281 1.074 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.456 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.422 -1.118 0 O4'-C1'-C2' 106.964 0.786 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.532 ' HA ' ' OG ' ' A' ' 52' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 109.397 -0.594 . . . . 10.0 109.397 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.677 ' CG1' " H2'" ' B' ' 10' ' ' ' DG' . 0.6 OUTLIER -68.05 -31.36 51.51 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.707 0 CA-C-N 117.847 0.294 . . . . 10.0 111.118 -179.013 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.531 ' H ' ' HG2' ' A' ' 1' ' ' MET . 36.0 mt-30 -54.28 -56.59 16.93 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 107.581 -1.266 . . . . 10.0 107.581 177.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.573 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER 179.28 169.78 1.0 Allowed 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.324 -0.853 . . . . 10.0 110.077 177.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.6 m -78.39 163.32 25.75 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 106.722 -1.584 . . . . 10.0 106.722 -176.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.691 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 29.3 t -74.06 0.57 13.35 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 113.216 -1.811 . . . . 10.0 111.078 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.95 -147.47 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.865 0.84 . . . . 10.0 112.747 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.584 ' CE1' ' HD3' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -116.34 73.58 0.86 Allowed 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 121.187 -0.946 . . . . 10.0 109.937 -177.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.23 32.86 21.91 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.361 -0.836 . . . . 10.0 114.598 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.1 t -89.57 74.12 7.67 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.034 0.445 . . . . 10.0 112.103 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.573 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 22.7 mmtt -71.91 63.73 0.48 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.843 -1.169 . . . . 10.0 107.843 176.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -92.33 26.1 2.7 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 121.846 -0.534 . . . . 10.0 111.303 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -23.26 133.7 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.266 0 O-C-N 124.86 1.35 . . . . 10.0 111.569 -179.528 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -35.6 108.79 0.07 Allowed 'General case' 0 C--N 1.351 0.659 0 CA-C-O 121.738 0.78 . . . . 10.0 112.547 -176.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.457 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 13.7 t0 -133.29 106.76 7.73 Favored 'General case' 0 C--N 1.308 -1.239 0 N-CA-C 105.986 -1.857 . . . . 10.0 105.986 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -62.77 -16.26 57.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.425 -1.262 . . . . 10.0 111.521 -178.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.452 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.8 OUTLIER -73.84 -23.84 59.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.005 -0.998 . . . . 10.0 108.633 179.539 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.491 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -102.97 150.74 38.09 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 114.688 -1.142 . . . . 10.0 108.005 179.369 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -91.1 75.21 0.72 Allowed 'Trans proline' 0 N--CA 1.459 -0.535 0 N-CA-C 116.116 1.544 . . . . 10.0 116.116 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.491 HG13 ' HG3' ' A' ' 18' ' ' LYS . 2.4 m -144.12 146.17 20.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 O-C-N 121.351 -0.843 . . . . 10.0 111.589 177.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.97 168.03 9.4 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.497 -0.774 . . . . 10.0 108.979 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -117.1 102.31 9.2 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 117.772 2.508 . . . . 10.0 117.772 -176.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.661 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -108.19 163.14 13.43 Favored 'General case' 0 C--O 1.198 -1.649 0 N-CA-C 115.286 1.587 . . . . 10.0 115.286 -171.365 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -96.0 164.83 12.54 Favored 'General case' 0 C--N 1.311 -1.101 0 C-N-CA 119.415 -0.914 . . . . 10.0 111.173 177.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.922 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.08 158.88 12.12 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 118.981 0.81 . . . . 10.0 110.157 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.673 ' HB3' HD13 ' A' ' 72' ' ' LEU . 60.3 Cg_endo -79.08 68.04 8.4 Favored 'Trans proline' 0 N--CA 1.474 0.34 0 C-N-CA 122.856 2.371 . . . . 10.0 108.158 177.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.511 HD21 ' HG3' ' A' ' 49' ' ' LYS . 10.2 mt -49.29 -38.73 28.39 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 112.83 -1.987 . . . . 10.0 115.697 -176.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.5 p -86.73 -1.08 57.44 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 109.164 -3.653 . . . . 10.0 113.62 -175.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.525 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -128.04 59.29 39.08 Favored Pre-proline 0 N--CA 1.446 -0.627 0 N-CA-C 105.453 -2.054 . . . . 10.0 105.453 174.622 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -47.09 -55.68 3.7 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.736 2.957 . . . . 10.0 115.45 -173.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.79 -47.74 51.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.267 0.556 . . . . 10.0 110.088 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.496 ' HB3' ' HD3' ' A' ' 29' ' ' ARG . 1.4 tm? -69.9 -33.96 72.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.155 -0.929 . . . . 10.0 108.57 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.922 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 10.7 t -61.91 -38.43 88.37 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 106.894 -1.521 . . . . 10.0 106.894 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -69.18 -24.09 64.01 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 113.709 1.003 . . . . 10.0 113.709 -175.481 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.6 OUTLIER -75.3 -22.04 58.01 Favored 'General case' 0 CA--C 1.484 -1.583 0 C-N-CA 116.054 -2.258 . . . . 10.0 108.864 179.162 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.728 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.5 m0 -56.41 -29.09 61.12 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 106.117 -1.808 . . . . 10.0 106.117 177.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -53.62 -49.4 67.92 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 123.772 1.749 . . . . 10.0 110.237 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.17 -33.74 63.24 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 110.411 -3.086 . . . . 10.0 112.649 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.62 -14.92 38.76 Favored 'General case' 0 C--N 1.309 -1.191 0 C-N-CA 119.602 -0.839 . . . . 10.0 109.707 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 36' ' ' TRP . 18.0 t -90.67 34.72 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 1.017 0 CA-C-O 122.691 1.234 . . . . 10.0 108.01 175.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.03 13.35 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 114.366 -1.288 . . . . 10.0 114.194 -177.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.584 ' HD3' ' CE1' ' A' ' 8' ' ' TYR . 12.4 tpt180 -76.89 142.27 40.21 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -52.97 -57.77 9.22 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.977 0.418 . . . . 10.0 110.175 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.71 69.21 9.44 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 109.257 -0.646 . . . . 10.0 109.257 178.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.665 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -49.89 121.18 5.02 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 114.871 -1.059 . . . . 10.0 109.433 178.02 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.691 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -61.31 -171.27 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.175 -0.92 . . . . 10.0 110.582 178.471 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.745 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 79.6 Cg_exo -44.95 176.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.352 2.035 . . . . 10.0 113.036 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.579 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 43.2 p -83.69 -153.63 0.14 Allowed 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 103.238 -2.875 . . . . 10.0 103.238 172.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.633 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -89.97 -3.45 58.0 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 112.455 -2.157 . . . . 10.0 114.224 -173.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.727 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 67.7 m-85 -77.58 -31.1 52.88 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 105.383 -2.08 . . . . 10.0 105.383 174.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.745 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 14.2 p -63.44 172.35 2.06 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 117.926 -1.51 . . . . 10.0 109.032 174.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.663 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -109.52 159.1 17.35 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.221 -1.354 . . . . 10.0 109.913 -178.702 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.663 HD12 ' C ' ' A' ' 52' ' ' SER . 2.1 mp -128.63 159.2 40.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 108.063 -1.088 . . . . 10.0 108.063 -176.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.549 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.4 p -105.74 157.72 17.24 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-N 119.345 0.975 . . . . 10.0 111.25 178.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.661 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.3 p -54.24 -39.33 66.69 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 118.834 2.902 . . . . 10.0 118.834 -173.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -14.87 1.65 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 114.384 1.253 . . . . 10.0 114.384 -176.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.435 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 87.4 m-70 -84.48 -16.68 41.63 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 114.651 1.352 . . . . 10.0 114.651 -177.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.586 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -127.41 174.65 8.83 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 109.415 -0.587 . . . . 10.0 109.415 -178.706 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.43 140.78 52.31 Favored Pre-proline 0 N--CA 1.428 -1.545 0 N-CA-C 108.972 -0.751 . . . . 10.0 108.972 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.697 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 8.2 Cg_endo -49.96 -32.04 29.26 Favored 'Trans proline' 0 C--N 1.329 -0.482 0 C-N-CA 123.328 2.686 . . . . 10.0 112.291 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.539 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 4.4 m-20 -57.91 -47.39 82.97 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.12 -1.4 . . . . 10.0 109.207 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.534 ' CB ' ' HG2' ' A' ' 73' ' ' LYS . 1.4 t -92.76 4.54 53.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 113.79 -1.55 . . . . 10.0 113.872 -174.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.697 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -39.05 -52.8 1.83 Allowed 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 114.301 1.223 . . . . 10.0 114.301 -179.739 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -175.3 -140.61 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.361 0.874 . . . . 10.0 113.361 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.43 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 1.6 ptm180 -59.86 -8.54 2.24 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 -178.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' OE1' ' HG3' ' A' ' 65' ' ' ARG . 1.1 mp0 -90.63 5.52 47.62 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 110.18 -0.304 . . . . 10.0 110.18 178.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.832 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 5.5 t -68.49 -115.11 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.854 0 CA-C-O 120.813 0.34 . . . . 10.0 110.809 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.443 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -98.93 -70.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.943 -0.473 . . . . 10.0 111.744 -178.793 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -88.64 -74.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.366 -0.534 . . . . 10.0 112.261 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.423 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 12.1 tppt? -148.45 -1.24 0.54 Allowed 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.45 0.643 . . . . 10.0 111.004 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.832 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -140.55 -161.58 1.22 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 118.209 -0.9 . . . . 10.0 109.217 -178.675 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.774 HD12 HD13 ' A' ' 71' ' ' LEU . 4.0 mp -63.13 -175.7 0.11 Allowed 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 122.57 1.176 . . . . 10.0 110.933 -176.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.746 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -88.36 106.2 18.09 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 104.391 -2.448 . . . . 10.0 104.391 171.119 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.525 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -50.82 -4.14 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 116.09 1.885 . . . . 10.0 116.09 -177.724 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.402 ' H ' ' C ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -106.74 14.06 27.26 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.473 -0.785 . . . . 10.0 110.974 175.58 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -138.48 141.71 39.42 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 123.722 1.725 . . . . 10.0 110.137 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.512 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -147.45 147.91 29.61 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 110.566 -3.015 . . . . 10.0 108.379 -178.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.512 ' HD2' HG23 ' A' ' 77' ' ' VAL . 2.1 Cg_endo -46.27 120.72 3.92 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 123.883 3.055 . . . . 10.0 108.875 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.0 t -125.26 -10.44 6.99 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 113.454 -1.703 . . . . 10.0 110.133 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.415 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.9 OUTLIER -90.0 6.16 4.69 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 115.591 -0.731 . . . . 10.0 111.321 -176.23 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.586 ' HE2' HG22 ' A' ' 40' ' ' VAL . 2.9 m-30 -41.06 -54.15 2.88 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.099 1.148 . . . . 10.0 114.099 -177.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.97 162.3 15.55 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 -179.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -77.04 -54.02 7.07 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.355 -0.609 . . . . 10.0 109.355 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.5 HD12 HG12 ' A' ' 85' ' ' VAL . 0.4 OUTLIER -157.12 -65.51 0.1 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.533 -0.758 . . . . 10.0 111.379 -179.638 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.5 HG12 HD12 ' A' ' 84' ' ' LEU . 6.5 p -166.08 138.37 3.19 Favored Pre-proline 0 N--CA 1.451 -0.39 0 CA-C-O 120.81 0.338 . . . . 10.0 110.802 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 7.9 Cg_exo -70.6 159.34 53.12 Favored 'Trans proline' 0 CA--C 1.527 0.153 0 C-N-CA 123.083 2.522 . . . . 10.0 111.389 178.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.452 ' H ' ' HG3' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.868 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.04 0 O4'-C1'-N19 108.612 1.015 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.868 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O4'-C1'-N19 108.966 1.458 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.939 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.047 0 O4'-C1'-N19 109.309 1.886 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.939 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 N19-C1'-C2' 115.995 1.122 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.722 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O4'-C1'-N19 108.36 0.7 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.722 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.071 0 O4'-C1'-N19 108.698 1.123 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.948 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.676 0 O4'-C1'-N19 109.224 1.781 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.948 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C5'-C4'-C3' 112.891 -1.206 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.515 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.392 0 O4'-C1'-N19 109.546 2.183 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.677 " H2'" ' CG1' ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.42 -1.26 0 O4'-C1'-N19 109.524 2.155 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.456 ' OP2' HG21 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 O3'-P-O5' 100.435 -1.877 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.504 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 P-O5'-C5' 118.956 -1.215 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.618 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C4'-C3'-C2' 102.437 -0.763 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.969 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O4'-C1'-C2' 107.054 0.868 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.081 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 1.023 0 O4'-C1'-N19 109.487 2.108 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.081 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.45 2.328 2 N19-C1'-C2' 104.143 -6.285 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.708 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C1'-N19 108.764 1.205 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.893 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-N19 108.571 0.964 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.893 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C1'-C2' 107.26 1.054 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.782 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C1'-C2' 107.599 1.362 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.573 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 O4'-C1'-C2' 107.26 1.055 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.727 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.418 -1.394 0 O4'-C1'-N19 109.361 1.951 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.68 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.43 -0.651 0 O3'-P-O5' 101.301 -1.42 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O4'-C1'-N19 109.036 1.545 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . 0.503 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.42 -1.228 0 O4'-C1'-N19 109.232 1.79 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.503 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O3'-P-O5' 101.109 -1.522 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.702 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 O4'-C4'-C3' 104.617 -0.983 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.702 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-C2' 107.084 0.895 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.538 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 O4'-C1'-N19 108.96 1.451 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.465 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-N19 108.731 1.164 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.548 H2'' ' C6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-C2' 107.09 0.9 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.548 ' C6 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C1'-C2' 107.188 0.989 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.852 ' SD ' ' HA ' ' A' ' 51' ' ' SER . 22.1 mmt . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 111.591 0.219 . . . . 10.0 111.591 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.489 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 7.1 p -70.81 -7.83 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.9 0.381 . . . . 10.0 111.333 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -49.33 -50.16 40.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.749 -0.659 . . . . 10.0 109.557 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.423 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -179.17 167.4 1.55 Allowed 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 178.766 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.63 166.27 23.22 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 107.454 -1.313 . . . . 10.0 107.454 -175.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.523 ' HA ' ' HB3' ' A' ' 46' ' ' LYS . 28.2 t -70.52 -1.11 9.94 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 112.106 -2.315 . . . . 10.0 111.255 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.76 -147.93 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 122.038 0.923 . . . . 10.0 110.905 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 11.7 p90 -147.25 74.66 1.34 Allowed 'General case' 0 N--CA 1.442 -0.859 0 O-C-N 121.142 -0.974 . . . . 10.0 109.389 178.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.06 -0.62 9.05 Favored Glycine 0 N--CA 1.439 -1.155 0 C-N-CA 120.06 -1.067 . . . . 10.0 113.838 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 12' ' ' ASN . 41.8 t -92.43 75.14 5.21 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 114.047 1.129 . . . . 10.0 114.047 -178.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 69.4 mttt -74.47 68.57 1.59 Allowed 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 106.688 -1.597 . . . . 10.0 106.688 175.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.426 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 1.5 m-20 -90.23 30.15 1.15 Allowed 'General case' 0 C--N 1.321 -0.646 0 O-C-N 121.524 -0.735 . . . . 10.0 112.645 -178.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.489 ' HD3' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -24.67 139.97 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 O-C-N 124.902 1.376 . . . . 10.0 112.698 -179.691 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.49 111.56 0.35 Allowed 'General case' 0 C--N 1.345 0.408 0 CA-C-O 122.243 1.02 . . . . 10.0 110.586 -177.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.419 ' CB ' ' HD2' ' A' ' 18' ' ' LYS . 1.2 t0 -139.57 108.92 6.13 Favored 'General case' 0 N--CA 1.434 -1.225 0 N-CA-C 105.168 -2.16 . . . . 10.0 105.168 177.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -58.08 -20.77 42.24 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.13 -0.941 . . . . 10.0 111.167 179.784 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.439 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 3.2 m-20 -65.84 -26.34 67.62 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.519 -1.218 . . . . 10.0 109.753 178.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.419 ' HD2' ' CB ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -104.95 147.04 33.82 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 107.883 -1.155 . . . . 10.0 107.883 178.699 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -88.15 75.2 1.99 Allowed 'Trans proline' 0 N--CA 1.46 -0.495 0 N-CA-C 115.123 1.163 . . . . 10.0 115.123 -177.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.5 142.76 26.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 119.913 -0.715 . . . . 10.0 112.045 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -104.95 166.87 10.09 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 114.901 -1.045 . . . . 10.0 108.339 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -118.4 103.04 9.4 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 116.764 2.135 . . . . 10.0 116.764 -177.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.742 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.51 162.85 13.57 Favored 'General case' 0 C--O 1.193 -1.873 0 N-CA-C 115.078 1.51 . . . . 10.0 115.078 -170.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -96.17 165.52 12.19 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 119.389 -0.924 . . . . 10.0 112.007 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.871 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -60.94 157.89 37.68 Favored Pre-proline 0 N--CA 1.47 0.574 0 CA-C-N 119.438 1.017 . . . . 10.0 110.967 178.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.612 ' HB3' HD13 ' A' ' 72' ' ' LEU . 53.8 Cg_endo -78.77 67.49 8.45 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.127 2.551 . . . . 10.0 109.037 178.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.628 HD21 ' HG3' ' A' ' 49' ' ' LYS . 14.9 mt -52.13 -34.51 44.82 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 124.335 2.017 . . . . 10.0 115.585 -176.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.3 p -84.98 -1.01 56.26 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 109.472 -3.513 . . . . 10.0 113.193 -175.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.572 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 5.7 ttm180 -134.66 64.37 63.1 Favored Pre-proline 0 N--CA 1.44 -0.949 0 N-CA-C 105.997 -1.853 . . . . 10.0 105.997 174.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.531 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.6 Cg_endo -48.84 -51.84 9.73 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 123.213 2.609 . . . . 10.0 114.472 -176.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -50.85 -47.62 60.27 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 -179.606 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.572 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 2.0 tm? -70.24 -33.72 71.98 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.479 -0.934 . . . . 10.0 108.479 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.871 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 50.3 t -61.71 -38.12 86.69 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 107.91 -1.145 . . . . 10.0 107.91 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -66.47 -27.51 67.86 Favored 'General case' 0 N--CA 1.422 -1.844 0 CA-C-N 114.591 -1.186 . . . . 10.0 113.484 -176.095 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' HG2' ' H ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER -74.84 -23.21 58.41 Favored 'General case' 0 CA--C 1.493 -1.222 0 C-N-CA 115.767 -2.373 . . . . 10.0 109.109 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.707 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.9 m0 -56.22 -31.94 63.96 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 105.663 -1.977 . . . . 10.0 105.663 177.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -54.47 -48.25 72.0 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 123.675 1.703 . . . . 10.0 110.635 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.09 -36.05 62.75 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 110.728 -2.942 . . . . 10.0 112.151 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.98 -14.49 36.46 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 119.792 -0.763 . . . . 10.0 110.861 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 36' ' ' TRP . 19.4 t -91.34 30.89 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 N-CA-C 107.914 -1.143 . . . . 10.0 107.914 175.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.53 13.88 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.485 1.291 . . . . 10.0 114.485 -178.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 14.1 tpt180 -81.31 151.23 28.13 Favored 'General case' 0 C--N 1.31 -1.141 0 O-C-N 121.985 -0.447 . . . . 10.0 111.112 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.543 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 15.3 ttpp -75.89 158.9 31.51 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 105.707 -1.96 . . . . 10.0 105.707 174.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.478 ' OD1' ' HG2' ' A' ' 43' ' ' LYS . 31.6 m-20 65.27 30.0 11.42 Favored 'General case' 0 N--CA 1.435 -1.222 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.638 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -29.09 124.96 0.12 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.856 1.263 . . . . 10.0 111.303 178.606 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.638 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 1.1 mttp -58.39 -173.14 0.04 OUTLIER Pre-proline 0 C--O 1.216 -0.669 0 C-N-CA 124.465 1.106 . . . . 10.0 111.063 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.783 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 87.8 Cg_exo -45.32 175.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 C-N-CA 122.495 2.13 . . . . 10.0 112.858 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 50' ' ' TYR . 13.9 p -101.76 159.74 15.07 Favored 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 102.772 -3.047 . . . . 10.0 102.772 172.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.628 ' HG3' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -25.86 -17.85 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.573 0 O-C-N 128.046 3.341 . . . . 10.0 118.032 175.627 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.713 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 81.0 m-85 -74.84 -27.31 60.22 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 104.619 -2.363 . . . . 10.0 104.619 173.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.852 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 4.1 p -67.4 173.06 4.28 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 120.59 1.541 . . . . 10.0 109.268 172.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.529 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -110.3 161.0 16.05 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 114.985 -1.007 . . . . 10.0 109.266 -179.756 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.529 HD12 ' C ' ' A' ' 52' ' ' SER . 3.3 mp -129.34 157.15 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 124.646 1.178 . . . . 10.0 108.432 -175.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.523 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 21.2 p -106.46 151.29 25.14 Favored 'General case' 0 CA--C 1.554 1.101 0 CA-C-N 120.046 1.294 . . . . 10.0 112.938 179.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.742 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 49.9 p -39.17 -49.7 1.86 Allowed 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 118.734 2.864 . . . . 10.0 118.734 -174.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.09 -16.37 0.29 Allowed 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 114.899 1.444 . . . . 10.0 114.899 -175.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.562 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 84.2 m-70 -85.82 -17.02 36.85 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 114.061 1.134 . . . . 10.0 114.061 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.575 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -133.82 132.86 40.92 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 118.727 0.694 . . . . 10.0 111.689 -179.397 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p -40.38 137.59 1.28 Allowed Pre-proline 0 N--CA 1.434 -1.272 0 O-C-N 124.865 1.353 . . . . 10.0 110.621 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.626 ' O ' ' HB2' ' A' ' 63' ' ' PHE . 8.9 Cg_endo -49.51 -27.94 15.29 Favored 'Trans proline' 0 C--N 1.323 -0.795 0 C-N-CA 123.067 2.512 . . . . 10.0 111.831 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.47 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -61.64 -51.22 69.36 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 113.49 -1.686 . . . . 10.0 107.588 174.8 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.621 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -88.03 6.54 35.59 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 113.612 0.967 . . . . 10.0 113.612 -174.296 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.626 ' HB2' ' O ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -37.69 -61.39 0.63 Allowed 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 113.958 -1.474 . . . . 10.0 114.34 179.637 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.564 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -175.97 -131.72 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 117.823 0.283 . . . . 10.0 111.581 -178.442 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.593 ' HA ' ' C ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -61.7 -20.9 63.98 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.15 0.5 . . . . 10.0 110.886 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -81.96 5.91 17.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.553 -0.749 . . . . 10.0 110.631 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.784 ' OG ' ' HD2' ' A' ' 73' ' ' LYS . 1.4 t -72.35 -95.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.016 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.424 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.4 OUTLIER -100.98 -71.14 0.72 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.213 0.53 . . . . 10.0 110.023 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -111.14 -64.64 1.25 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.559 -0.746 . . . . 10.0 111.771 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.593 ' C ' ' HA ' ' A' ' 65' ' ' ARG . 13.0 ttmm -146.21 1.99 0.86 Allowed 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 111.801 0.297 . . . . 10.0 111.801 -178.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.911 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -146.4 -170.84 3.6 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 118.766 -0.635 . . . . 10.0 110.053 179.527 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.911 HD12 HD13 ' A' ' 71' ' ' LEU . 2.1 mp -61.74 -177.35 0.11 Allowed 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 122.56 1.171 . . . . 10.0 110.815 -174.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.784 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -88.84 108.68 19.65 Favored 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 104.558 -2.386 . . . . 10.0 104.558 172.177 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -51.49 -5.16 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 115.329 1.604 . . . . 10.0 115.329 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.409 ' H ' ' C ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -110.43 18.05 20.19 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.213 -0.903 . . . . 10.0 110.671 176.007 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.51 145.34 32.49 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 123.894 1.806 . . . . 10.0 110.718 -177.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.47 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -150.84 148.99 24.37 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 110.306 -3.134 . . . . 10.0 107.757 -178.026 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.562 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 2.2 Cg_endo -43.93 120.39 2.38 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 123.51 2.807 . . . . 10.0 108.444 178.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 t -123.0 -10.65 8.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 113.418 -1.719 . . . . 10.0 109.363 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.49 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.8 OUTLIER -91.49 7.07 4.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 115.068 -0.969 . . . . 10.0 112.508 -176.096 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.497 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 3.9 m-30 -40.49 -53.72 2.61 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.311 0.856 . . . . 10.0 113.311 -177.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.581 ' HB2' ' CE1' ' A' ' 8' ' ' TYR . 7.5 mt -174.78 164.16 3.5 Favored 'General case' 0 CA--C 1.517 -0.3 0 O-C-N 123.297 0.373 . . . . 10.0 110.128 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -58.21 -52.41 65.68 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.575 0.547 . . . . 10.0 109.842 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -157.47 -67.53 0.1 Allowed 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.524 178.62 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -143.39 148.6 44.67 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 110.171 -0.307 . . . . 10.0 110.171 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.417 ' HG3' ' O ' ' A' ' 8' ' ' TYR . 14.4 Cg_exo -61.33 141.22 92.01 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.458 2.105 . . . . 10.0 113.697 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 . . . . . 0 C--O 1.249 1.037 0 CA-C-N 114.477 -1.238 . . . . 10.0 112.043 178.907 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.812 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C4'-C3' 104.597 -1.003 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.812 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-N19 108.879 1.348 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.792 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-N19 108.892 1.365 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.792 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-N19 108.773 1.216 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.768 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-N19 108.683 1.104 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.768 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-N19 108.602 1.002 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.882 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-N19 109.288 1.859 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.882 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 N19-C1'-C2' 116.528 1.455 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.509 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.242 0 O4'-C1'-N19 108.976 1.47 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.515 ' N7 ' ' HB3' ' A' ' 1' ' ' MET . . . . . . . . 0 O5'--C5' 1.418 -1.361 0 P-O5'-C5' 117.702 -1.999 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.735 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O3'-P-O5' 100.942 -1.609 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.735 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.026 0 C2'-C3'-O3' 113.39 1.033 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.509 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 O4'-C1'-C2' 106.959 0.781 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.868 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C1'-C2' 107.069 0.881 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.145 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.442 0.876 0 O4'-C1'-N19 109.61 2.263 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.145 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.451 2.362 2 N19-C1'-C2' 103.614 -6.616 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.636 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.43 0.735 0 O4'-C1'-N19 109.062 1.578 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.869 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.556 0 O4'-C1'-C2' 107.121 0.929 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.869 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-C2' 107.073 0.884 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.812 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O4'-C1'-C2' 107.454 1.231 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.526 H2'' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.126 0 O4'-C1'-C2' 107.213 1.012 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.713 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.417 -1.447 0 O4'-C1'-N19 109.367 1.959 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.642 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.43 -0.624 0 O3'-P-O5' 100.565 -1.808 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.049 0 O4'-C1'-N19 108.928 1.409 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . 0.494 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.42 -1.252 0 O4'-C1'-N19 108.845 1.306 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.494 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-N19 109.027 1.534 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.602 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-C2' 107.185 0.986 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.602 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 O4'-C1'-N19 108.722 1.152 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.506 H2'' ' C8 ' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 O4'-C1'-N19 108.654 1.067 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.506 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-N19 108.686 1.108 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.508 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 N19-C1'-C2' 116.073 1.171 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.508 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 O4'-C1'-C2' 107.107 0.916 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.418 ' HA ' ' OG ' ' A' ' 52' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.824 HG13 " H2'" ' B' ' 10' ' ' ' DG' . 17.8 m -69.9 -32.9 53.4 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.553 0 O-C-N 123.383 0.427 . . . . 10.0 110.469 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -56.71 -62.45 1.73 Allowed 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 123.496 0.498 . . . . 10.0 110.443 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.596 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER 178.87 170.27 0.87 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 120.875 0.369 . . . . 10.0 111.3 178.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.34 167.73 16.27 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 107.613 -1.254 . . . . 10.0 107.613 -177.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.671 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 8.2 t -74.46 2.32 9.81 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 112.859 -1.973 . . . . 10.0 111.832 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.79 -152.29 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 122.181 0.991 . . . . 10.0 112.956 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.458 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 1.4 t80 -109.02 67.27 0.65 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 -178.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.41 35.17 12.38 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 120.738 -0.744 . . . . 10.0 113.528 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.445 ' SG ' ' HB2' ' A' ' 12' ' ' ASN . 8.3 t -85.99 76.45 9.82 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 117.614 0.707 . . . . 10.0 112.563 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.596 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 29.4 mmtp -73.29 62.83 0.71 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.855 -0.794 . . . . 10.0 108.855 176.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.445 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER -89.65 30.3 1.05 Allowed 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.72 -0.613 . . . . 10.0 111.64 -179.125 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -23.97 135.72 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 O-C-N 124.902 1.376 . . . . 10.0 112.145 179.831 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.52 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -44.68 111.72 0.34 Allowed 'General case' 0 C--N 1.35 0.628 0 CA-C-O 122.152 0.977 . . . . 10.0 111.126 -177.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.585 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 0.9 OUTLIER -140.58 111.28 6.89 Favored 'General case' 0 N--CA 1.438 -1.042 0 N-CA-C 105.474 -2.047 . . . . 10.0 105.474 178.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -61.03 -21.2 63.38 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.973 -1.012 . . . . 10.0 112.013 -178.36 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.585 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 1.5 m-20 -68.35 -22.09 64.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.626 -1.17 . . . . 10.0 109.692 178.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.55 138.76 19.68 Favored Pre-proline 0 C--N 1.315 -0.925 0 N-CA-C 107.923 -1.14 . . . . 10.0 107.923 177.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -84.92 76.36 3.3 Favored 'Trans proline' 0 C--O 1.238 0.484 0 C-N-CA 121.58 1.52 . . . . 10.0 116.015 -176.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.407 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 3.4 m -144.41 143.1 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.581 0.705 . . . . 10.0 111.797 178.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.59 168.68 9.12 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 114.663 -1.153 . . . . 10.0 107.918 177.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.52 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.4 OUTLIER -118.66 102.56 8.95 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 117.331 2.345 . . . . 10.0 117.331 -177.266 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.717 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -106.13 159.63 15.94 Favored 'General case' 0 C--O 1.195 -1.792 0 N-CA-C 114.827 1.417 . . . . 10.0 114.827 -170.876 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.436 ' HD3' ' C7 ' ' B' ' 8' ' ' ' DT' . 34.4 mtpt -95.03 164.46 12.88 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 114.985 -1.007 . . . . 10.0 111.418 178.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.823 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -57.8 156.47 18.32 Favored Pre-proline 0 C--N 1.318 -0.791 0 CA-C-N 118.067 0.394 . . . . 10.0 110.915 -179.748 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.554 ' HB3' HD13 ' A' ' 72' ' ' LEU . 51.9 Cg_endo -78.48 67.58 8.27 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.818 2.345 . . . . 10.0 108.519 178.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 27' ' ' LEU . 18.2 mt -49.42 -38.78 30.34 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 112.486 -2.143 . . . . 10.0 115.756 -177.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 p -88.09 0.64 55.74 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 109.884 -3.325 . . . . 10.0 112.587 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.432 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -127.5 56.51 19.85 Favored Pre-proline 0 N--CA 1.439 -0.997 0 N-CA-C 105.858 -1.904 . . . . 10.0 105.858 175.067 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.579 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 9.2 Cg_endo -48.36 -53.58 6.57 Favored 'Trans proline' 0 C--O 1.219 -0.454 0 C-N-CA 123.938 3.092 . . . . 10.0 115.362 -174.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -52.85 -45.81 67.54 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.499 0.666 . . . . 10.0 109.291 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.465 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 2.2 tm? -70.54 -31.92 69.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.406 -1.27 . . . . 10.0 108.97 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.823 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 44.0 t -63.95 -36.83 85.24 Favored 'General case' 0 CA--C 1.502 -0.893 0 N-CA-C 107.293 -1.373 . . . . 10.0 107.293 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -66.56 -27.41 67.71 Favored 'General case' 0 N--CA 1.421 -1.888 0 CA-C-N 115.018 -0.992 . . . . 10.0 113.515 -176.44 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.467 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -74.81 -22.27 58.82 Favored 'General case' 0 CA--C 1.497 -1.074 0 C-N-CA 116.044 -2.263 . . . . 10.0 108.785 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.701 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.8 m0 -58.82 -29.87 67.21 Favored 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 106.118 -1.808 . . . . 10.0 106.118 178.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -55.39 -48.43 74.33 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 123.544 1.64 . . . . 10.0 109.338 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -55.09 -34.44 63.64 Favored 'General case' 0 C--N 1.361 1.108 0 CA-C-N 110.593 -3.003 . . . . 10.0 112.001 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.439 ' O ' ' HD2' ' A' ' 81' ' ' PHE . . . -87.23 -15.21 38.87 Favored 'General case' 0 C--N 1.309 -1.179 0 C-N-CA 120.582 -0.447 . . . . 10.0 110.266 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 36' ' ' TRP . 18.5 t -91.51 44.06 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 107.741 -1.207 . . . . 10.0 107.741 174.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.31 12.12 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.292 1.219 . . . . 10.0 114.292 -178.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.479 ' CZ ' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -76.58 137.43 39.53 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.906 -0.405 . . . . 10.0 109.906 179.323 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.479 ' H ' ' CZ ' ' A' ' 42' ' ' ARG . 36.4 tttt -54.69 -52.6 61.89 Favored 'General case' 0 CA--C 1.514 -0.442 0 N-CA-C 108.863 -0.792 . . . . 10.0 108.863 178.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.471 ' OD1' ' HG3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -82.49 66.78 8.25 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.288 -0.869 . . . . 10.0 108.839 178.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.641 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 5.6 t80 -47.17 126.12 8.78 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.247 -0.888 . . . . 10.0 109.425 178.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.671 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.3 OUTLIER -61.92 -172.23 0.05 OUTLIER Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 114.836 -1.074 . . . . 10.0 110.834 178.828 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.783 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 80.8 Cg_exo -46.39 176.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 122.117 1.878 . . . . 10.0 111.83 178.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.613 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 43.4 p -81.74 -153.02 0.1 Allowed 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 103.382 -2.822 . . . . 10.0 103.382 173.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.497 ' HB3' ' CD2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.46 -3.26 57.78 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 112.061 -2.336 . . . . 10.0 114.219 -174.077 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.68 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 75.5 m-85 -77.88 -31.77 51.5 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 105.391 -2.077 . . . . 10.0 105.391 173.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.783 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 9.4 p -62.43 172.32 1.59 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 120.606 1.548 . . . . 10.0 109.55 175.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.646 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -110.31 160.81 16.22 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.076 -1.42 . . . . 10.0 109.764 -178.577 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.646 HD12 ' C ' ' A' ' 52' ' ' SER . 2.9 mp -130.36 157.11 42.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 114.159 -1.382 . . . . 10.0 107.578 -175.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.536 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 15.9 p -107.65 155.17 20.45 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 120.185 1.357 . . . . 10.0 111.969 178.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.717 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 2.2 p -48.46 -39.16 21.91 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 119.024 2.972 . . . . 10.0 119.024 -172.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -16.05 2.37 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 114.427 1.269 . . . . 10.0 114.427 -176.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.559 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 88.3 m-70 -85.67 -16.85 37.77 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 114.535 1.309 . . . . 10.0 114.535 -177.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.57 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -138.73 137.16 36.49 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-N 118.361 0.528 . . . . 10.0 111.353 -178.501 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.8 p -42.58 139.12 2.04 Favored Pre-proline 0 N--CA 1.434 -1.272 0 O-C-N 124.689 1.243 . . . . 10.0 111.72 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.669 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.5 Cg_endo -50.31 -28.61 21.06 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 122.733 2.288 . . . . 10.0 112.136 179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.491 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 0.8 OUTLIER -60.48 -50.76 72.27 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 113.51 -1.677 . . . . 10.0 107.436 174.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.598 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -90.76 7.21 40.8 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 113.865 1.061 . . . . 10.0 113.865 -174.531 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.669 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -40.72 -59.49 1.38 Allowed 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 113.97 1.1 . . . . 10.0 113.97 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.608 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 22.9 pttt -175.83 -136.54 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.028 0.751 . . . . 10.0 113.028 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -59.59 -13.72 10.53 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.333 0.653 . . . . 10.0 112.55 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -85.37 5.74 29.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.785 0.326 . . . . 10.0 110.619 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.823 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 9.0 t -68.01 -114.05 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.938 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.4 ' N ' ' OG ' ' A' ' 67' ' ' SER . 1.1 m120 -102.81 -75.08 0.62 Allowed 'General case' 0 C--N 1.321 -0.653 0 O-C-N 122.027 -0.421 . . . . 10.0 112.102 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -82.83 -74.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.794 -0.362 . . . . 10.0 111.774 -177.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -149.9 -2.05 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.917 0.389 . . . . 10.0 111.932 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.823 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -139.44 -163.82 1.56 Allowed 'General case' 0 C--O 1.213 -0.856 0 CA-C-O 118.277 -0.868 . . . . 10.0 109.297 -179.111 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.67 ' H ' HD12 ' A' ' 72' ' ' LEU . 3.4 mp -62.73 -173.47 0.05 Allowed 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 122.396 1.093 . . . . 10.0 109.936 -175.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.589 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -87.79 101.98 14.22 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 104.482 -2.414 . . . . 10.0 104.482 170.721 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.465 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -49.72 -4.27 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 116.261 1.949 . . . . 10.0 116.261 -177.119 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -106.82 14.46 26.66 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.212 175.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.414 ' HB3' ' OG ' ' A' ' 62' ' ' SER . . . -140.73 146.46 37.77 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 123.595 1.664 . . . . 10.0 110.954 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.467 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -147.16 149.84 36.39 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 111.076 -2.783 . . . . 10.0 109.312 -177.605 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.562 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 2.1 Cg_endo -45.9 122.78 5.46 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 123.148 2.565 . . . . 10.0 107.437 176.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.01 -10.55 7.14 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 113.961 -1.472 . . . . 10.0 109.757 178.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.446 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -93.29 6.56 6.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 115.593 -0.731 . . . . 10.0 111.178 -175.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.535 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.7 m-30 -39.06 -45.12 1.21 Allowed 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 113.938 1.088 . . . . 10.0 113.938 -177.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.458 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -174.25 173.12 3.12 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.964 -0.384 . . . . 10.0 109.964 -179.554 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -82.52 -68.57 0.69 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.028 0.442 . . . . 10.0 110.445 179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -145.95 -67.38 0.29 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.844 -0.616 . . . . 10.0 109.741 -179.423 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.7 p -161.89 129.64 2.75 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.076 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 5.7 Cg_exo -71.69 161.52 44.94 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.502 2.135 . . . . 10.0 111.543 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.455 ' HD3' ' O ' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.805 0 CA-C-O 118.685 -0.674 . . . . 10.0 109.816 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.812 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.648 0 O4'-C1'-C2' 107.018 0.835 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.812 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-N19 109.264 1.83 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.84 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.983 0 O4'-C1'-N19 109.069 1.587 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.84 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-N19 108.876 1.345 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.748 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 O4'-C1'-C2' 107.084 0.895 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.762 " H1'" ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 O4'-C1'-N19 108.827 1.284 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.849 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 O4'-C1'-N19 109.397 1.996 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.849 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 C5'-C4'-C3' 112.536 -1.443 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.525 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.417 -1.452 0 O4'-C1'-N19 109.452 2.065 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.824 " H2'" HG13 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.42 -1.242 0 O3'-P-O5' 100.428 -1.88 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.539 ' OP2' HG21 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O3'-P-O5' 100.984 -1.587 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.612 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.422 -1.096 0 C2'-C3'-O3' 114.219 1.341 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.612 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 P-O5'-C5' 119.429 -0.919 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.901 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C1'-C2' 107.12 0.927 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.136 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.02 0 O4'-C1'-N19 109.812 2.514 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.136 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.451 2.376 2 N19-C1'-C2' 103.38 -6.763 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.72 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C1'-N19 108.998 1.498 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.805 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 O4'-C4'-C3' 104.574 -1.026 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.921 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O3'-P-O5' 102.396 -0.844 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.921 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.043 0 N19-C1'-C2' 116.184 1.24 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.474 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O4'-C1'-C2' 107.141 0.947 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.672 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.42 -1.26 0 O4'-C1'-N19 109.644 2.305 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.68 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O3'-P-O5' 100.707 -1.733 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-N19 109.231 1.789 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . 0.491 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.024 0 O4'-C1'-N19 109.113 1.641 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.491 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O3'-P-O5' 101.396 -1.371 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.701 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O4'-C1'-C2' 107.08 0.891 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.701 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 O4'-C1'-N19 108.751 1.188 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.544 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C1'-N19 108.704 1.13 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.465 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 O4'-C1'-N19 108.56 0.95 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.461 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 O4'-C1'-C2' 107.256 1.051 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.461 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O4'-C1'-C2' 107.162 0.965 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.479 ' CG ' ' HG2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 109.722 -0.474 . . . . 10.0 109.722 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.784 HG21 H2'' ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -68.61 -41.6 82.94 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 O-C-N 123.28 0.363 . . . . 10.0 111.117 -179.366 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.64 ' NE2' ' H71' ' C' ' 20' ' ' ' DT' . 23.4 mt-30 -54.41 -46.49 73.17 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.972 -0.751 . . . . 10.0 108.972 178.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.661 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 1.1 t -177.63 161.44 1.68 Allowed 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.796 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.635 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 1.6 m -80.5 163.17 23.95 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 107.155 -1.424 . . . . 10.0 107.155 -176.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.617 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -72.67 1.22 8.75 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 112.201 -2.272 . . . . 10.0 112.271 -179.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.13 -149.09 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.764 0.793 . . . . 10.0 111.656 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.57 ' CE2' ' HD3' ' A' ' 42' ' ' ARG . 1.4 t80 -110.88 69.43 0.69 Allowed 'General case' 0 N--CA 1.442 -0.826 0 O-C-N 121.083 -1.01 . . . . 10.0 108.855 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.78 29.96 14.47 Favored Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 114.994 -1.003 . . . . 10.0 114.541 178.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.8 t -83.96 75.54 10.12 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 117.715 0.758 . . . . 10.0 112.119 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.661 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 58.6 mttt -72.06 65.16 0.56 Allowed 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.658 -0.867 . . . . 10.0 108.658 176.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -91.11 27.25 1.92 Allowed 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.65 -0.656 . . . . 10.0 111.634 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HD3' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -23.68 136.37 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.495 0 O-C-N 124.808 1.317 . . . . 10.0 111.71 -179.352 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.436 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -46.31 109.77 0.22 Allowed 'General case' 0 C--N 1.349 0.569 0 CA-C-O 121.873 0.844 . . . . 10.0 111.287 -176.83 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.63 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 67.1 t0 -133.78 118.31 17.89 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 104.565 -2.383 . . . . 10.0 104.565 176.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HD3' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -62.94 -17.3 61.7 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 114.386 -1.279 . . . . 10.0 110.572 179.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.439 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.3 OUTLIER -71.46 -27.66 63.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.876 -1.056 . . . . 10.0 109.777 178.577 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -100.85 142.44 24.62 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 114.936 -1.029 . . . . 10.0 108.338 179.507 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 18' ' ' LYS . 25.6 Cg_endo -90.74 77.03 0.72 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 121.76 1.64 . . . . 10.0 115.496 -176.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.441 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 1.6 m -145.31 148.2 17.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 CA-C-O 121.37 0.605 . . . . 10.0 111.537 179.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 p -103.45 167.86 9.53 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 114.506 -1.224 . . . . 10.0 108.526 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.436 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 1.7 m-85 -121.27 102.05 8.04 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 116.518 2.044 . . . . 10.0 116.518 -177.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.711 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.52 160.17 15.87 Favored 'General case' 0 C--O 1.202 -1.428 0 N-CA-C 114.673 1.36 . . . . 10.0 114.673 -171.168 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.63 ' HB2' ' H72' ' B' ' 8' ' ' ' DT' . 5.4 mtpt -94.98 162.0 13.91 Favored 'General case' 0 C--N 1.307 -1.276 0 C-N-CA 119.182 -1.007 . . . . 10.0 111.563 178.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.848 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.2 m-85 -56.01 157.16 8.83 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 118.79 0.723 . . . . 10.0 110.762 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.612 ' HB3' HD13 ' A' ' 72' ' ' LEU . 65.1 Cg_endo -76.98 66.86 7.65 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.733 2.288 . . . . 10.0 108.871 177.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 27' ' ' LEU . 12.1 mt -50.5 -35.26 28.45 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-O 124.408 2.051 . . . . 10.0 115.215 -176.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.448 HG21 " H3'" ' B' ' 6' ' ' ' DT' . 30.7 p -88.27 -0.81 57.55 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 109.291 -3.595 . . . . 10.0 113.119 -175.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.542 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -130.82 57.94 35.27 Favored Pre-proline 0 N--CA 1.445 -0.68 0 N-CA-C 105.92 -1.881 . . . . 10.0 105.92 174.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.491 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 3.0 Cg_endo -44.34 -55.8 2.97 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 124.173 3.249 . . . . 10.0 115.733 -175.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 m -50.98 -46.12 61.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.996 0.427 . . . . 10.0 109.949 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.444 ' CB ' ' HD3' ' A' ' 29' ' ' ARG . 1.6 tm? -70.37 -34.87 73.09 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.242 -1.022 . . . . 10.0 108.242 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.848 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 40.1 t -61.9 -37.83 86.06 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 107.099 -1.445 . . . . 10.0 107.099 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.03 -25.85 65.59 Favored 'General case' 0 N--CA 1.425 -1.694 0 N-CA-C 113.591 0.96 . . . . 10.0 113.591 -175.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.468 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -73.97 -24.12 59.57 Favored 'General case' 0 CA--C 1.493 -1.232 0 C-N-CA 116.418 -2.113 . . . . 10.0 109.272 179.253 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.607 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.2 m0 -57.21 -30.57 64.67 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 106.05 -1.833 . . . . 10.0 106.05 178.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -55.36 -47.56 75.58 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 123.774 1.749 . . . . 10.0 109.972 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -56.15 -34.48 66.19 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 110.419 -3.082 . . . . 10.0 112.451 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.06 -14.5 41.29 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 120.956 0.408 . . . . 10.0 110.635 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 36' ' ' TRP . 22.2 t -91.66 43.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 106.855 -1.535 . . . . 10.0 106.855 173.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.447 ' HD2' ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -56.46 14.21 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 113.485 -1.689 . . . . 10.0 115.477 -177.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.57 ' HD3' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -98.78 142.76 29.91 Favored 'General case' 0 C--N 1.313 -1.013 0 O-C-N 121.3 -0.875 . . . . 10.0 111.593 -179.356 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 2.8 tttt -54.31 -44.05 71.66 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.76 -0.654 . . . . 10.0 110.381 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.47 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 0.3 OUTLIER -82.85 65.34 7.93 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.234 -0.894 . . . . 10.0 109.913 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.532 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 9.2 t80 -60.85 119.42 8.19 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 114.986 -1.007 . . . . 10.0 109.132 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.635 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -59.94 -172.07 0.04 OUTLIER Pre-proline 0 C--O 1.22 -0.473 0 CA-C-N 114.958 -1.019 . . . . 10.0 110.959 178.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.744 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 99.8 Cg_exo -44.5 175.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.363 1.292 0 C-N-CA 122.138 1.892 . . . . 10.0 111.964 178.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.484 ' HB ' ' HE3' ' A' ' 49' ' ' LYS . 11.8 p -97.36 161.61 13.71 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 103.29 -2.856 . . . . 10.0 103.29 172.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.576 ' HE2' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -27.77 -17.63 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 O-C-N 127.735 3.147 . . . . 10.0 117.868 175.087 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.731 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 62.0 m-85 -73.78 -29.52 62.24 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 104.535 -2.394 . . . . 10.0 104.535 173.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.744 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 6.9 p -65.43 173.13 2.79 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 121.056 1.753 . . . . 10.0 108.797 173.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.617 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -109.65 163.61 13.32 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 114.818 -1.083 . . . . 10.0 110.148 -178.529 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.617 HD12 ' C ' ' A' ' 52' ' ' SER . 3.2 mp -131.79 158.48 43.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 N-CA-C 107.749 -1.204 . . . . 10.0 107.749 -177.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.556 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.3 p -106.36 156.33 18.62 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.778 1.172 . . . . 10.0 111.833 178.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.711 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.4 p -49.98 -40.45 44.24 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 118.294 2.701 . . . . 10.0 118.294 -173.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -15.81 2.54 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 114.344 1.238 . . . . 10.0 114.344 -176.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.563 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 95.4 m-70 -85.21 -16.67 39.51 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 114.529 1.307 . . . . 10.0 114.529 -177.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.488 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -138.56 138.82 38.32 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 118.249 0.477 . . . . 10.0 110.956 -178.468 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -43.5 138.14 2.92 Favored Pre-proline 0 N--CA 1.429 -1.486 0 CA-C-N 114.597 -1.183 . . . . 10.0 111.041 179.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.549 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 9.9 Cg_endo -50.39 -28.39 20.91 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.936 2.424 . . . . 10.0 112.399 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.583 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 1.7 m-20 -60.06 -50.82 72.21 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 106.78 -1.563 . . . . 10.0 106.78 174.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.56 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -88.86 5.87 41.79 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 113.925 1.083 . . . . 10.0 113.925 -174.358 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.549 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -39.52 -56.9 1.55 Allowed 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 113.771 1.026 . . . . 10.0 113.771 179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.464 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 0.2 OUTLIER -176.36 -141.35 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.126 0.417 . . . . 10.0 112.126 -177.671 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -13.71 5.07 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.391 0.677 . . . . 10.0 112.584 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -82.73 5.8 20.18 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.088 -0.338 . . . . 10.0 110.088 178.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.834 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 3.9 t -70.49 -109.52 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.627 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.405 ' N ' ' OG ' ' A' ' 67' ' ' SER . 1.6 m120 -100.98 -69.13 0.79 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.384 0.513 . . . . 10.0 112.384 -178.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -99.42 -71.02 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.294 0.479 . . . . 10.0 112.294 -178.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -145.91 -2.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.407 0.521 . . . . 10.0 112.407 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.834 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -138.24 -163.95 1.54 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 118.748 -0.644 . . . . 10.0 109.755 -179.609 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.702 HD12 HD13 ' A' ' 71' ' ' LEU . 4.0 mp -64.39 -170.71 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 122.589 1.185 . . . . 10.0 109.534 -177.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.645 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 2.0 mmmm -87.51 102.66 14.79 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 102.595 -3.113 . . . . 10.0 102.595 170.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.542 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 4.6 pt-20 -49.92 -5.04 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 115.916 1.821 . . . . 10.0 115.916 -178.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.01 16.68 21.73 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.568 -0.742 . . . . 10.0 110.868 176.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.38 146.88 38.96 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 123.644 1.688 . . . . 10.0 109.717 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.437 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -148.58 151.01 35.09 Favored Pre-proline 0 N--CA 1.449 -0.482 0 CA-C-N 110.484 -3.053 . . . . 10.0 108.244 -177.583 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.544 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 2.1 Cg_endo -45.46 120.4 3.21 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 123.498 2.798 . . . . 10.0 107.537 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.03 -9.88 8.2 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 113.457 -1.701 . . . . 10.0 108.695 177.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.412 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.7 OUTLIER -94.6 6.74 6.96 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 CA-C-N 115.402 -0.817 . . . . 10.0 111.1 -176.429 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.563 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.0 OUTLIER -40.7 -47.29 2.78 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.84 1.052 . . . . 10.0 113.84 -177.768 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.46 HD11 ' HG3' ' A' ' 86' ' ' PRO . 0.3 OUTLIER -166.76 166.73 15.62 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.286 -0.265 . . . . 10.0 110.286 -179.247 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -80.29 -53.31 6.75 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.592 -0.892 . . . . 10.0 108.592 178.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -162.02 -70.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.329 179.206 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.477 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.5 p -152.37 128.59 5.24 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.931 0.396 . . . . 10.0 111.294 -179.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 8.3 Cg_exo -69.47 155.21 67.53 Favored 'Trans proline' 0 C--O 1.237 0.442 0 C-N-CA 123.048 2.498 . . . . 10.0 112.31 179.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.404 ' H ' ' HG3' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.802 0 CA-C-O 117.923 -1.036 . . . . 10.0 109.48 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.803 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.618 0 O5'-C5'-C4' 111.379 0.842 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.803 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.971 0 O4'-C1'-C2' 107.144 0.949 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.861 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 O4'-C1'-N19 108.742 1.178 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.861 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 O4'-C1'-C2' 107.254 1.049 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.752 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 O4'-C1'-N19 108.675 1.093 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.752 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.033 0 O4'-C4'-C3' 104.568 -1.032 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.972 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.512 -0.588 0 O4'-C1'-N19 109.179 1.724 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.972 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 O4'-C1'-N19 108.867 1.334 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.427 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.258 0 O4'-C1'-N19 109.242 1.803 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.784 H2'' HG21 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.42 -1.259 0 O4'-C1'-N19 109.59 2.237 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.408 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.087 0 O3'-P-O5' 99.932 -2.141 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.675 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 C2'-C3'-O3' 113.68 1.141 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.675 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 C2'-C3'-O3' 113.05 0.907 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.834 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.542 0 O4'-C1'-C2' 107.121 0.928 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.178 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 1.036 0 O4'-C1'-N19 109.969 2.711 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.178 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.451 2.367 2 N19-C1'-C2' 103.369 -6.77 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.508 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 O4'-C1'-N19 108.903 1.379 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.702 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-N19 108.612 1.015 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.822 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.704 0 O4'-C1'-C2' 106.954 0.777 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.822 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.368 1.153 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.597 ' C8 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 O4'-C1'-C2' 107.155 0.959 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.731 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.419 -1.314 0 O4'-C1'-N19 109.256 1.82 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.694 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 P-O5'-C5' 118.168 -1.708 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 O4'-C1'-N19 108.699 1.123 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 O4'-C4'-C3' 104.554 -1.046 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.404 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 O3'-P-O5' 101.754 -1.182 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.631 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 O4'-C4'-C3' 104.612 -0.988 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.631 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-C2' 107.072 0.884 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.594 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 O4'-C1'-N19 108.617 1.021 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.507 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C4'-C3' 104.53 -1.07 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.51 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-C2' 107.142 0.947 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.51 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 O4'-C1'-C2' 106.948 0.771 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.655 ' HA ' ' OG ' ' A' ' 52' ' ' SER . 0.7 OUTLIER . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 108.545 -0.909 . . . . 10.0 108.545 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.632 HG21 H2'' ' B' ' 10' ' ' ' DG' . 0.1 OUTLIER -69.23 -46.7 77.04 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.548 0 C-N-CA 120.496 -0.482 . . . . 10.0 110.226 -179.648 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.565 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 12.5 mt-30 -62.05 -56.23 21.12 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.86 -0.609 . . . . 10.0 109.753 178.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.579 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 2.6 t -178.24 171.12 1.7 Allowed 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.071 0.462 . . . . 10.0 111.547 -179.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.27 156.77 26.67 Favored 'General case' 0 C--N 1.339 0.138 0 N-CA-C 107.093 -1.447 . . . . 10.0 107.093 -176.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.649 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 0.9 OUTLIER -67.96 3.82 1.41 Allowed 'General case' 0 C--N 1.349 0.553 0 CA-C-N 114.076 -1.42 . . . . 10.0 112.621 179.213 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.06 -149.19 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.064 0.765 . . . . 10.0 113.064 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.401 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 1.1 t80 -115.12 70.69 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.519 0.676 . . . . 10.0 109.935 -178.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.49 28.52 26.98 Favored Glycine 0 N--CA 1.442 -0.943 0 C-N-CA 120.583 -0.818 . . . . 10.0 113.935 178.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.1 t -89.98 74.31 7.29 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.579 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 43.9 mttp -71.23 65.89 0.41 Allowed 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.497 -0.927 . . . . 10.0 108.497 176.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.61 31.09 0.6 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.848 -0.532 . . . . 10.0 110.951 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.482 ' HD3' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -23.6 134.32 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 O-C-N 125.077 1.486 . . . . 10.0 111.902 -179.484 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.96 114.46 0.79 Allowed 'General case' 0 CA--C 1.508 -0.643 0 CA-C-O 122.271 1.034 . . . . 10.0 109.672 -177.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -141.73 112.54 7.26 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 104.719 -2.326 . . . . 10.0 104.719 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -20.35 64.3 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.453 -0.794 . . . . 10.0 109.885 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.45 -26.83 66.59 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.506 -1.225 . . . . 10.0 109.722 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.68 141.07 22.13 Favored Pre-proline 0 C--O 1.235 0.334 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 178.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -85.87 74.57 3.37 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 N-CA-C 116.276 1.606 . . . . 10.0 116.276 -176.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.42 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 3.7 m -145.84 144.86 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-O 121.154 0.502 . . . . 10.0 110.959 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.55 169.05 8.76 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 114.722 -1.126 . . . . 10.0 108.805 178.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -117.75 103.74 10.29 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 118.155 2.65 . . . . 10.0 118.155 -177.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.774 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -100.4 -174.93 2.78 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 114.631 1.345 . . . . 10.0 114.631 -171.242 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.571 ' HD3' ' H72' ' B' ' 8' ' ' ' DT' . 2.1 ttpt -125.8 164.83 19.83 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 103.976 -2.601 . . . . 10.0 103.976 -177.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.828 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.5 m-85 -61.16 157.86 40.08 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 119.445 1.021 . . . . 10.0 110.882 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.592 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 89.2 Cg_endo -75.58 86.65 1.45 Allowed 'Trans proline' 0 CA--C 1.514 -0.494 0 C-N-CA 122.322 2.014 . . . . 10.0 107.343 176.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.1 mt -69.93 -35.29 74.42 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 112.664 -2.062 . . . . 10.0 114.232 -174.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.4 p -94.07 9.83 36.11 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 113.179 -1.828 . . . . 10.0 110.429 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.432 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -132.78 55.8 19.19 Favored Pre-proline 0 N--CA 1.445 -0.676 0 N-CA-C 106.481 -1.674 . . . . 10.0 106.481 175.031 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.541 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.5 Cg_endo -48.72 -52.04 9.3 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.564 2.843 . . . . 10.0 114.4 -176.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -53.29 -43.93 67.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.561 0.696 . . . . 10.0 109.632 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.42 HD21 ' O ' ' A' ' 76' ' ' ALA . 1.3 tm? -71.1 -33.78 70.49 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.89 -1.152 . . . . 10.0 107.89 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.828 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 42.2 t -63.48 -37.46 87.38 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 106.609 -1.626 . . . . 10.0 106.609 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -66.11 -26.3 67.39 Favored 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 113.191 0.811 . . . . 10.0 113.191 -176.538 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.464 ' HG2' ' H ' ' A' ' 35' ' ' GLU . 0.8 OUTLIER -75.31 -24.47 57.44 Favored 'General case' 0 CA--C 1.495 -1.166 0 C-N-CA 116.533 -2.067 . . . . 10.0 109.008 179.29 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.651 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.7 m0 -58.17 -29.18 65.4 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 105.566 -2.013 . . . . 10.0 105.566 178.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -56.45 -48.23 77.47 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-O 123.472 1.606 . . . . 10.0 109.677 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -56.38 -32.42 64.77 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 110.944 -2.844 . . . . 10.0 112.871 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.88 -15.22 39.71 Favored 'General case' 0 C--N 1.308 -1.226 0 C-N-CA 120.368 -0.533 . . . . 10.0 110.598 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 36' ' ' TRP . 6.3 t -93.44 39.03 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 108.205 -1.035 . . . . 10.0 108.205 174.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.99 14.11 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 116.062 1.875 . . . . 10.0 116.062 -177.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.412 ' HA ' ' HD2' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -97.62 155.35 17.02 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 121.305 -0.872 . . . . 10.0 111.426 -179.509 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -63.31 -41.9 98.96 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.492 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.81 62.46 6.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.428 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.629 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 2.3 t80 -61.96 124.79 21.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.365 -0.834 . . . . 10.0 109.541 179.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.649 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -64.11 -171.83 0.06 OUTLIER Pre-proline 0 CA--C 1.547 0.833 0 CA-C-N 114.633 -1.167 . . . . 10.0 111.02 179.123 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.773 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 79.7 Cg_exo -45.95 178.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 122.939 2.426 . . . . 10.0 112.68 178.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.676 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 37.1 p -80.15 -153.16 0.08 Allowed 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 103.951 -2.611 . . . . 10.0 103.951 173.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.574 ' HD3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -90.7 -4.72 56.52 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 112.277 -2.238 . . . . 10.0 113.771 -174.821 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.722 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 61.2 m-85 -78.36 -27.71 46.99 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 105.731 -1.951 . . . . 10.0 105.731 175.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.773 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 4.0 p -64.46 174.14 1.82 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 121.12 1.782 . . . . 10.0 107.725 173.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.655 ' OG ' ' HA ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -109.29 165.11 11.87 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 114.803 -1.09 . . . . 10.0 110.31 -178.426 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.639 HD12 ' C ' ' A' ' 52' ' ' SER . 3.4 mp -134.14 159.28 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 N-CA-C 108.774 -0.824 . . . . 10.0 108.774 -176.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.628 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.3 p -106.9 159.58 16.15 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 119.941 1.246 . . . . 10.0 111.887 179.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.774 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 5.4 p -55.16 -40.99 71.28 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 118.894 2.924 . . . . 10.0 118.894 -172.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -14.4 2.39 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 114.695 1.368 . . . . 10.0 114.695 -175.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.516 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 91.0 m-70 -85.78 -16.99 37.08 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 114.458 1.281 . . . . 10.0 114.458 -177.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.573 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -139.19 138.95 37.36 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 118.576 0.625 . . . . 10.0 111.086 -179.176 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p -42.77 138.57 2.24 Favored Pre-proline 0 N--CA 1.434 -1.24 0 O-C-N 124.682 1.239 . . . . 10.0 111.188 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.629 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 7.5 Cg_endo -49.16 -30.04 17.98 Favored 'Trans proline' 0 N--CA 1.449 -1.109 0 C-N-CA 122.99 2.46 . . . . 10.0 112.65 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.477 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -60.05 -50.72 72.61 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 113.559 -1.655 . . . . 10.0 107.39 174.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.715 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -90.34 7.61 37.65 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 -174.507 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.629 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -41.4 -56.54 2.46 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.879 -1.055 . . . . 10.0 113.249 179.731 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.513 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 4.6 pttt -175.75 -139.88 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 112.015 0.376 . . . . 10.0 112.015 -177.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.448 ' HG2' ' H ' ' A' ' 65' ' ' ARG . 6.8 ptm180 -61.0 -12.73 12.42 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.017 0.527 . . . . 10.0 112.354 -178.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.59 6.11 18.72 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.683 -0.488 . . . . 10.0 109.683 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.791 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 1.2 t -69.27 -106.33 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.321 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.484 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -101.94 -62.59 1.24 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.346 0.498 . . . . 10.0 112.346 -178.517 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -108.3 -70.97 0.78 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.738 -0.665 . . . . 10.0 112.435 -177.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.5 1.06 0.8 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.647 0.61 . . . . 10.0 112.647 -178.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.878 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -142.78 -166.14 2.22 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 -179.789 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.878 HD12 HD13 ' A' ' 71' ' ' LEU . 1.9 mp -63.08 -174.07 0.07 Allowed 'General case' 0 N--CA 1.482 1.146 0 CA-C-O 122.576 1.179 . . . . 10.0 109.518 -176.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.599 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 3.4 mmmm -87.54 101.44 13.62 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 102.651 -3.092 . . . . 10.0 102.651 170.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.432 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -49.02 -5.49 0.02 OUTLIER 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 116.346 1.98 . . . . 10.0 116.346 -177.697 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.13 19.93 18.93 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 121.297 0.57 . . . . 10.0 110.08 176.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.456 ' HB3' ' OG ' ' A' ' 62' ' ' SER . . . -142.87 146.36 34.01 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 123.307 1.527 . . . . 10.0 110.407 -179.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.538 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -146.7 151.78 43.34 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 111.487 -2.597 . . . . 10.0 108.716 -177.672 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.538 ' HD2' HG23 ' A' ' 77' ' ' VAL . 1.7 Cg_endo -45.92 120.81 3.76 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 123.514 2.809 . . . . 10.0 106.662 177.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.9 t -123.63 -10.36 7.86 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 113.325 -1.762 . . . . 10.0 109.057 178.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.443 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -95.63 6.19 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.504 -177.028 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.516 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 0.7 OUTLIER -40.08 -48.87 2.53 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.176 0.806 . . . . 10.0 113.176 -178.182 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -172.17 157.94 4.4 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.816 -0.439 . . . . 10.0 109.816 -179.674 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -78.24 -64.95 1.05 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 123.724 0.64 . . . . 10.0 110.195 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.34 -71.42 0.35 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.545 -0.298 . . . . 10.0 110.691 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.5 p -164.74 133.83 2.79 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-O 120.572 0.225 . . . . 10.0 110.843 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 24.2 Cg_exo -63.98 170.32 9.08 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.069 2.513 . . . . 10.0 112.159 178.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 87' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.665 -0.683 . . . . 10.0 110.56 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.776 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 O4'-C1'-C2' 107.097 0.907 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.776 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 O4'-C1'-N19 108.768 1.21 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.923 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 O4'-C1'-N19 109.143 1.678 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.923 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O3'-P-O5' 102.033 -1.035 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.744 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-C2' 107.161 0.964 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.744 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C1'-N19 108.609 1.011 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.99 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.629 0 O4'-C1'-N19 109.039 1.549 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.99 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.653 0 N19-C1'-C2' 116.269 1.293 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.518 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.419 -1.311 0 O4'-C1'-N19 109.407 2.009 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.632 H2'' HG21 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.419 -1.335 0 O4'-C1'-N19 109.301 1.877 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.102 0 O3'-P-O5' 101.359 -1.39 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.156 0 C2'-C3'-O3' 114.041 1.274 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.555 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 P-O5'-C5' 119.601 -0.812 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.844 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 O4'-C1'-C2' 107.073 0.884 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.128 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.442 0.867 0 O4'-C1'-N19 109.522 2.153 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.128 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.452 2.447 2 N19-C1'-C2' 103.523 -6.673 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.734 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-N19 108.601 1.001 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.734 ' C8 ' H2'' ' C' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.716 0 O4'-C1'-N19 108.673 1.091 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.795 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 O4'-C1'-C2' 107.19 0.991 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.795 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C5'-C4'-C3' 116.258 1.039 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.481 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 O4'-C1'-C2' 107.099 0.908 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.707 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.42 -1.253 0 O4'-C1'-N19 109.209 1.761 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.722 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 P-O5'-C5' 118.479 -1.513 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.404 ' OP2' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-N19 109.1 1.625 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 O4'-C4'-C3' 104.536 -1.064 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.502 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 O4'-C1'-N19 108.834 1.292 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.768 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 O4'-C1'-C2' 107.104 0.913 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.768 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-N19 108.694 1.117 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.675 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.624 0 O4'-C1'-C2' 107.294 1.085 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.439 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 O4'-C4'-C3' 104.649 -0.951 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.515 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 O4'-C1'-N19 108.664 1.08 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.515 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O4'-C1'-C2' 107.103 0.912 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.788 ' SD ' ' HA ' ' A' ' 51' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 108.922 -0.77 . . . . 10.0 108.922 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.511 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 7.5 p -71.32 -21.79 21.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.488 -0.485 . . . . 10.0 109.693 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -55.74 -60.37 3.54 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.633 -0.712 . . . . 10.0 109.725 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.505 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 2.0 t -179.33 170.41 1.37 Allowed 'General case' 0 C--O 1.239 0.503 0 O-C-N 123.406 0.441 . . . . 10.0 110.441 178.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.25 178.27 7.23 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 123.061 1.41 . . . . 10.0 108.07 -177.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 t -82.77 -13.35 56.43 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 111.509 -2.587 . . . . 10.0 110.89 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.75 166.9 18.27 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 106.037 -1.838 . . . . 10.0 106.037 176.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.442 ' CD1' ' HB2' ' A' ' 42' ' ' ARG . 15.8 p90 -101.54 100.11 10.5 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 122.25 1.024 . . . . 10.0 113.336 -175.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.78 -13.12 10.76 Favored Glycine 0 C--N 1.297 -1.617 0 C-N-CA 119.837 -1.173 . . . . 10.0 114.52 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 12' ' ' ASN . 42.6 t -88.08 76.17 8.59 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 113.686 0.995 . . . . 10.0 113.686 -177.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.505 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 94.9 mttt -74.93 66.15 1.51 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 106.467 -1.679 . . . . 10.0 106.467 174.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.491 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 0.3 OUTLIER -82.24 43.65 0.81 Allowed 'General case' 0 CA--C 1.507 -0.696 0 CA-C-N 118.379 0.536 . . . . 10.0 111.607 -178.563 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.511 ' HD3' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -35.82 138.18 0.19 Allowed 'General case' 0 C--N 1.302 -1.458 0 O-C-N 124.624 1.202 . . . . 10.0 111.114 179.16 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.443 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -45.81 108.86 0.14 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.844 0.683 . . . . 10.0 112.844 -178.063 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.471 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 18.5 t0 -132.84 108.85 9.23 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 106.187 -1.782 . . . . 10.0 106.187 177.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -61.12 -23.27 65.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.791 0.805 . . . . 10.0 111.325 -178.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.423 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -63.7 -27.42 69.2 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.177 -1.374 . . . . 10.0 109.527 178.162 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.642 ' HZ2' HG22 ' A' ' 20' ' ' VAL . 3.7 pttp -104.91 146.07 31.94 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 114.8 -1.091 . . . . 10.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -89.47 78.22 0.99 Allowed 'Trans proline' 0 CA--C 1.535 0.555 0 N-CA-C 117.88 2.223 . . . . 10.0 117.88 -176.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.642 HG22 ' HZ2' ' A' ' 18' ' ' LYS . 0.9 OUTLIER -146.8 145.77 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 O-C-N 121.887 -0.508 . . . . 10.0 111.007 176.496 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.49 169.68 8.44 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.378 -0.828 . . . . 10.0 108.879 177.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.443 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.3 OUTLIER -116.24 102.56 9.68 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 118.025 2.602 . . . . 10.0 118.025 -176.281 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.739 ' CE1' ' HE2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -106.25 160.36 15.4 Favored 'General case' 0 C--O 1.194 -1.862 0 N-CA-C 115.161 1.541 . . . . 10.0 115.161 -170.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.72 164.87 12.58 Favored 'General case' 0 C--N 1.311 -1.103 0 C-N-CA 119.149 -1.02 . . . . 10.0 111.877 177.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.829 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.7 m-85 -59.44 156.39 31.38 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 118.422 0.555 . . . . 10.0 110.701 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.681 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 68.8 Cg_endo -78.02 67.76 7.99 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.823 2.349 . . . . 10.0 108.949 177.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.549 HD21 ' HG3' ' A' ' 49' ' ' LYS . 8.4 mt -50.16 -37.52 35.01 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-N 112.44 -2.163 . . . . 10.0 115.653 -177.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.5 p -85.01 -2.0 57.46 Favored 'General case' 0 N--CA 1.438 -1.058 0 CA-C-N 108.853 -3.794 . . . . 10.0 114.057 -175.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.524 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 3.5 ttm105 -133.59 63.72 65.35 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 105.531 -2.026 . . . . 10.0 105.531 173.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.556 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 4.3 Cg_endo -46.37 -52.6 7.08 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.738 2.959 . . . . 10.0 115.458 -175.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -51.99 -45.44 64.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.053 0.454 . . . . 10.0 110.19 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.524 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 1.9 tm? -69.84 -33.36 72.18 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 108.104 -1.073 . . . . 10.0 108.104 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.829 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 51.3 t -63.61 -36.72 84.75 Favored 'General case' 0 CA--C 1.499 -1.008 0 N-CA-C 107.98 -1.119 . . . . 10.0 107.98 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.64 -26.18 66.1 Favored 'General case' 0 N--CA 1.424 -1.758 0 N-CA-C 113.724 1.009 . . . . 10.0 113.724 -175.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.47 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -75.91 -18.44 59.37 Favored 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 116.212 -2.195 . . . . 10.0 109.346 179.746 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.734 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.6 m0 -61.2 -29.91 70.1 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 106.326 -1.731 . . . . 10.0 106.326 177.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -56.63 -39.06 72.99 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 124.151 1.929 . . . . 10.0 111.458 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.07 -29.76 68.79 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 109.732 -3.395 . . . . 10.0 109.838 -175.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.88 -15.34 32.38 Favored 'General case' 0 C--N 1.309 -1.161 0 C-N-CA 120.334 -0.546 . . . . 10.0 110.338 178.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 36' ' ' TRP . 4.9 t -91.53 43.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.172 -1.048 . . . . 10.0 108.172 175.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.06 14.37 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.533 1.309 . . . . 10.0 114.533 -178.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.708 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 28.5 tpt180 -86.27 141.59 29.16 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 122.235 -0.29 . . . . 10.0 111.191 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.708 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 27.0 ttpp -71.32 161.47 31.02 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 105.942 -1.873 . . . . 10.0 105.942 175.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.431 ' OD1' ' HG2' ' A' ' 43' ' ' LYS . 0.3 OUTLIER 58.76 36.42 24.81 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.694 -0.854 . . . . 10.0 108.694 -179.315 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.666 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 1.9 t80 -28.58 129.65 0.07 Allowed 'General case' 0 C--N 1.349 0.546 0 O-C-N 125.023 1.452 . . . . 10.0 111.968 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.666 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -57.0 -172.57 0.03 OUTLIER Pre-proline 0 C--O 1.221 -0.445 0 CA-C-N 114.343 -1.299 . . . . 10.0 110.72 178.742 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.772 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 87.4 Cg_exo -46.3 173.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.634 1.556 . . . . 10.0 111.511 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.629 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 38.3 p -81.35 -153.24 0.1 Allowed 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 103.236 -2.875 . . . . 10.0 103.236 173.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.682 ' HD2' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -90.11 -5.87 56.05 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 112.056 -2.338 . . . . 10.0 113.781 -174.052 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.673 ' CD2' ' H5 ' ' C' ' 23' ' ' ' DC' . 82.6 m-85 -76.52 -29.51 56.78 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 105.473 -2.047 . . . . 10.0 105.473 174.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.788 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 11.3 p -64.03 172.67 2.23 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 118.023 -1.471 . . . . 10.0 108.209 173.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.577 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -110.78 161.45 15.77 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 114.598 -1.183 . . . . 10.0 109.399 -179.18 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.577 HD12 ' C ' ' A' ' 52' ' ' SER . 3.0 mp -129.78 159.47 41.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 108.076 -1.083 . . . . 10.0 108.076 -175.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.566 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 16.5 p -106.06 157.39 17.57 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 119.658 1.117 . . . . 10.0 111.871 178.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.838 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 0.1 OUTLIER -55.84 -36.85 67.98 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 119.298 3.073 . . . . 10.0 119.298 -172.802 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -15.04 3.21 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 113.137 0.792 . . . . 10.0 113.137 -176.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.45 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 89.2 m-70 -86.77 -16.85 35.07 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 114.039 1.125 . . . . 10.0 114.039 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.739 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -120.34 173.81 6.91 Favored 'General case' 0 CA--C 1.497 -1.07 0 CA-C-O 121.155 0.503 . . . . 10.0 110.003 -178.848 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.78 139.5 37.59 Favored Pre-proline 0 N--CA 1.421 -1.895 0 N-CA-C 108.252 -1.018 . . . . 10.0 108.252 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.603 ' O ' ' HB2' ' A' ' 63' ' ' PHE . 6.8 Cg_endo -47.83 -32.84 18.12 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 123.096 2.531 . . . . 10.0 111.891 179.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.584 ' O ' ' HA ' ' A' ' 67' ' ' SER . 0.9 OUTLIER -57.5 -49.48 76.18 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 114.204 -1.362 . . . . 10.0 109.833 177.359 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.572 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -91.56 6.89 43.9 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 114.068 -1.424 . . . . 10.0 114.186 -174.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.838 ' CE1' ' HB3' ' A' ' 55' ' ' SER . 0.4 OUTLIER -37.7 -64.14 0.41 Allowed 'General case' 0 CA--C 1.56 1.335 0 CA-C-N 113.755 -1.566 . . . . 10.0 115.178 179.213 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.654 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -174.91 -129.45 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 119.456 1.025 . . . . 10.0 113.002 -177.774 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.588 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -55.52 -34.14 64.39 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.48 -0.762 . . . . 10.0 110.527 179.702 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 62.0 mp0 -84.7 6.45 24.16 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.129 -0.941 . . . . 10.0 111.261 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.797 ' OG ' ' HD2' ' A' ' 73' ' ' LYS . 4.3 t -72.3 -91.42 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.072 -0.513 . . . . 10.0 112.046 -179.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -99.93 -72.02 0.68 Allowed 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.393 0.616 . . . . 10.0 110.578 -179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.474 ' CG ' ' H ' ' A' ' 70' ' ' LYS . 18.7 p-10 -110.56 -65.35 1.17 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.348 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.588 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 5.3 tttt -146.44 1.8 0.83 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.659 -0.867 . . . . 10.0 108.659 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.836 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -143.09 -170.19 3.2 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.969 -1.014 . . . . 10.0 109.461 -179.52 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.836 HD12 HD13 ' A' ' 71' ' ' LEU . 0.4 OUTLIER -63.27 -178.65 0.26 Allowed 'General case' 0 N--CA 1.477 0.88 0 CA-C-O 122.337 1.065 . . . . 10.0 110.241 -175.751 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.797 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 1.1 mmmm -88.4 112.2 22.63 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 104.602 -2.37 . . . . 10.0 104.602 172.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -49.93 -11.46 0.06 Allowed 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 115.358 1.614 . . . . 10.0 115.358 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.71 22.73 15.34 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.151 -0.931 . . . . 10.0 111.332 176.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.401 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -142.0 145.57 34.58 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 123.352 1.549 . . . . 10.0 109.777 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.506 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -150.67 148.85 24.45 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 111.232 -2.713 . . . . 10.0 108.046 -178.422 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.557 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 2.3 Cg_endo -46.59 121.03 4.37 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.631 2.887 . . . . 10.0 108.376 177.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 t -124.75 -10.24 7.28 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 113.961 -1.472 . . . . 10.0 110.026 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -89.26 5.04 4.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 115.513 -0.767 . . . . 10.0 112.553 -175.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.589 ' HE2' HG22 ' A' ' 40' ' ' VAL . 6.0 m-30 -40.64 -69.19 0.14 Allowed 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.623 0.971 . . . . 10.0 113.623 -177.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 82' ' ' LEU . 6.7 mt -163.67 165.69 23.04 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.884 0.373 . . . . 10.0 110.788 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -68.71 -54.48 15.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.581 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.53 -74.66 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.085 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.2 m -141.88 151.38 59.41 Favored Pre-proline 0 N--CA 1.451 -0.383 0 N-CA-C 108.547 -0.909 . . . . 10.0 108.547 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -67.47 149.11 80.06 Favored 'Trans proline' 0 CA--C 1.515 -0.443 0 C-N-CA 122.767 2.312 . . . . 10.0 111.844 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 . . . . . 0 C--O 1.25 1.084 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.959 178.87 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.894 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.562 0 O5'-C5'-C4' 111.475 0.911 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.894 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 O4'-C4'-C3' 104.625 -0.975 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.921 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O4'-C1'-N19 108.931 1.414 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.921 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-N19 108.79 1.238 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.754 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-N19 108.527 0.908 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.754 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-N19 108.726 1.158 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.951 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.694 0 O4'-C1'-N19 109.412 2.015 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.951 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 N19-C1'-C2' 116.547 1.467 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.468 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.422 -1.104 0 O4'-C1'-N19 109.341 1.926 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.468 ' OP2' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.276 0 O4'-C1'-N19 109.396 1.995 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.815 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 O3'-P-O5' 100.318 -1.938 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.815 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.067 0 C2'-C3'-O3' 113.263 0.986 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.59 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-C2' 107.117 0.925 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.908 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 O4'-C1'-C2' 107.259 1.054 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.097 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.442 0.845 0 O4'-C1'-N19 109.304 1.88 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.097 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.453 2.515 2 N19-C1'-C2' 103.55 -6.656 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.718 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-N19 108.908 1.385 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.718 ' C8 ' H2'' ' C' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-N19 108.779 1.224 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.703 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-C2' 107.16 0.963 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.703 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 O4'-C1'-C2' 107.436 1.214 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.47 H2'' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.085 0 O4'-C1'-C2' 107.084 0.895 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.658 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.417 -1.462 0 O4'-C1'-N19 109.382 1.978 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.673 ' H5 ' ' CD2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 O3'-P-O5' 100.489 -1.848 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-N19 109.275 1.844 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . 0.474 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 O4'-C1'-N19 108.798 1.248 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.474 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 P-O5'-C5' 119.227 -1.046 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.715 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 O4'-C1'-N19 108.579 0.974 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.715 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 O4'-C1'-C2' 107.156 0.96 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.476 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O4'-C1'-N19 108.703 1.129 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.442 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 O4'-C1'-N19 108.631 1.039 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.56 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-N19 108.612 1.015 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.56 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 O4'-C1'-C2' 107.056 0.869 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.403 ' HG2' ' HG2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.575 HG21 H2'' ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -69.0 -38.45 78.49 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 CA-C-O 120.868 0.366 . . . . 10.0 110.308 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -56.92 -56.35 22.84 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.541 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -179.84 173.45 1.0 Allowed 'General case' 0 C--O 1.239 0.526 0 O-C-N 123.457 0.473 . . . . 10.0 110.45 179.456 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.689 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 4.3 m -79.99 177.22 9.08 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 122.796 1.284 . . . . 10.0 107.776 -177.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.542 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 30.6 t -82.69 -1.72 52.08 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 111.414 -2.63 . . . . 10.0 110.941 -178.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.451 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . . . -57.99 -149.92 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.98 0.895 . . . . 10.0 113.148 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -113.12 72.34 0.77 Allowed 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.1 -0.704 . . . . 10.0 109.1 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.88 28.07 29.9 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.284 -0.96 . . . . 10.0 113.993 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.459 ' O ' ' SG ' ' A' ' 10' ' ' CYS . 2.0 t -79.39 75.46 5.98 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 117.385 0.592 . . . . 10.0 112.17 -178.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.541 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 18.0 mttt -73.75 65.81 1.04 Allowed 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.197 -1.038 . . . . 10.0 108.197 176.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.46 ' OD1' ' HE2' ' A' ' 18' ' ' LYS . 2.2 m-80 -93.98 26.68 3.1 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.799 -0.563 . . . . 10.0 112.044 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -23.44 133.63 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 O-C-N 124.784 1.303 . . . . 10.0 111.521 -179.392 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -37.9 110.45 0.13 Allowed 'General case' 0 C--N 1.349 0.552 0 CA-C-O 122.079 0.942 . . . . 10.0 111.314 -177.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.416 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 15.5 t70 -137.2 109.85 7.52 Favored 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 105.307 -2.108 . . . . 10.0 105.307 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -19.38 65.95 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.218 -0.901 . . . . 10.0 110.744 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -28.51 67.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.485 -1.234 . . . . 10.0 108.997 178.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.46 ' HE2' ' OD1' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -96.92 149.49 35.79 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 107.528 -1.286 . . . . 10.0 107.528 178.056 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -91.08 75.55 0.71 Allowed 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 121.381 1.387 . . . . 10.0 115.543 -177.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.517 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 2.6 m -146.35 146.32 19.09 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 CA-C-O 121.469 0.652 . . . . 10.0 111.514 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.9 p -104.14 168.4 9.13 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 114.637 -1.165 . . . . 10.0 108.764 178.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -115.31 102.21 9.65 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 117.509 2.411 . . . . 10.0 117.509 -177.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.795 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -102.06 -173.73 2.41 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 114.613 1.338 . . . . 10.0 114.613 -170.282 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.611 ' HB2' ' H72' ' B' ' 8' ' ' ' DT' . 0.3 OUTLIER -126.57 165.34 19.35 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 104.881 -2.266 . . . . 10.0 104.881 -177.231 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.878 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.5 m-85 -60.86 156.76 44.54 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 119.333 0.969 . . . . 10.0 111.179 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.66 ' HB3' HD13 ' A' ' 72' ' ' LEU . 78.2 Cg_endo -76.41 86.31 1.58 Allowed 'Trans proline' 0 CA--C 1.513 -0.552 0 C-N-CA 122.581 2.187 . . . . 10.0 107.282 176.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 27' ' ' LEU . 16.7 mt -69.88 -37.11 75.93 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 112.798 -2.001 . . . . 10.0 114.723 -174.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -93.01 9.14 36.97 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 113.145 -1.843 . . . . 10.0 111.272 -176.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.498 ' HD3' ' CB ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -132.99 56.77 23.72 Favored Pre-proline 0 N--CA 1.439 -1.001 0 N-CA-C 105.995 -1.854 . . . . 10.0 105.995 174.211 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.544 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 9.4 Cg_endo -49.78 -49.27 16.39 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.883 3.056 . . . . 10.0 115.219 -175.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.451 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -54.77 -43.52 72.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 118.484 0.583 . . . . 10.0 109.431 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' CB ' ' HD3' ' A' ' 29' ' ' ARG . 1.3 tm? -70.05 -34.84 73.74 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.943 -1.132 . . . . 10.0 107.943 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.878 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 49.1 t -62.48 -37.04 84.42 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 106.962 -1.496 . . . . 10.0 106.962 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.11 -25.13 66.05 Favored 'General case' 0 N--CA 1.429 -1.501 0 N-CA-C 113.568 0.951 . . . . 10.0 113.568 -176.626 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -76.68 -21.43 55.4 Favored 'General case' 0 CA--C 1.493 -1.244 0 C-N-CA 116.154 -2.218 . . . . 10.0 108.57 179.463 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.693 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.8 m0 -58.49 -28.07 65.03 Favored 'General case' 0 N--CA 1.438 -1.032 0 N-CA-C 105.762 -1.94 . . . . 10.0 105.762 177.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -54.94 -48.61 72.94 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-O 123.441 1.591 . . . . 10.0 109.573 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.45 -33.66 59.99 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 111.021 -2.809 . . . . 10.0 113.183 179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.42 -15.42 37.8 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.639 -0.424 . . . . 10.0 110.218 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 36' ' ' TRP . 6.8 t -89.91 45.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 106.998 -1.482 . . . . 10.0 106.998 174.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.79 13.99 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 113.42 -1.718 . . . . 10.0 115.058 -178.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.441 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -103.32 139.97 38.03 Favored 'General case' 0 C--N 1.316 -0.882 0 O-C-N 121.562 -0.711 . . . . 10.0 111.893 -179.016 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.614 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.1 OUTLIER -57.81 -36.28 72.01 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.252 -0.885 . . . . 10.0 109.884 179.511 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.614 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 11.0 p30 -85.47 61.41 6.84 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.758 -0.83 . . . . 10.0 108.758 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.614 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 7.7 t80 -56.34 124.44 18.07 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.798 -1.092 . . . . 10.0 110.186 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.689 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -64.1 -172.64 0.07 OUTLIER Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 114.076 -1.42 . . . . 10.0 110.731 179.167 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.771 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 86.6 Cg_exo -46.3 175.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.133 1.889 . . . . 10.0 112.141 178.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.614 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 33.4 p -82.29 -152.78 0.11 Allowed 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 104.373 -2.454 . . . . 10.0 104.373 173.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.611 ' HD3' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -89.97 -3.63 57.91 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 112.353 -2.203 . . . . 10.0 113.92 -173.858 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.734 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 82.4 m-85 -79.1 -30.03 43.61 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 105.638 -1.986 . . . . 10.0 105.638 174.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.771 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 11.8 p -63.31 173.38 1.56 Allowed 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 120.794 1.634 . . . . 10.0 108.457 173.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.661 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.39 163.32 13.51 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 114.206 -1.361 . . . . 10.0 110.81 -177.751 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.661 HD12 ' C ' ' A' ' 52' ' ' SER . 3.2 mp -133.74 158.15 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 108.586 -0.894 . . . . 10.0 108.586 -176.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.634 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 14.1 p -106.13 159.99 15.66 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.643 1.111 . . . . 10.0 111.888 178.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.795 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -56.13 -36.18 67.96 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 119.114 3.005 . . . . 10.0 119.114 -172.764 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -15.86 3.1 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 114.294 1.22 . . . . 10.0 114.294 -176.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.595 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 91.4 m-70 -86.9 -18.71 30.18 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 114.626 1.343 . . . . 10.0 114.626 -176.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.501 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.1 OUTLIER -137.42 137.0 38.34 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-N 118.644 0.656 . . . . 10.0 111.263 -177.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.7 p -43.19 138.88 2.47 Favored Pre-proline 0 N--CA 1.433 -1.286 0 O-C-N 124.604 1.19 . . . . 10.0 111.358 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.519 ' HA ' ' CG ' ' A' ' 63' ' ' PHE . 8.8 Cg_endo -50.06 -29.28 21.42 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 122.85 2.366 . . . . 10.0 111.961 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.469 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 2.1 m-20 -59.82 -51.46 69.64 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 113.815 -1.539 . . . . 10.0 107.55 174.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.6 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -89.1 6.54 39.41 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 113.935 1.087 . . . . 10.0 113.935 -175.002 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.519 ' CG ' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -40.73 -59.05 1.49 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.753 -1.112 . . . . 10.0 113.795 179.372 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.472 ' HE3' ' OE2' ' A' ' 66' ' ' GLU . 29.2 pttt -173.74 -142.72 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -176.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.472 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -57.12 -12.98 2.49 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.515 0.932 . . . . 10.0 113.515 -178.8 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.472 ' OE2' ' HE3' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -82.95 5.45 21.94 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.556 -0.535 . . . . 10.0 109.556 178.209 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.804 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 3.0 t -71.42 -106.16 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.603 -0.726 . . . . 10.0 111.835 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.445 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -98.74 -71.51 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.942 0.401 . . . . 10.0 111.311 -177.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -103.5 -70.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.169 -0.468 . . . . 10.0 111.204 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -145.14 1.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.386 0.513 . . . . 10.0 112.386 -177.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.835 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -140.8 -165.51 1.96 Allowed 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 118.493 -0.765 . . . . 10.0 110.163 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.835 HD12 HD13 ' A' ' 71' ' ' LEU . 3.2 mp -62.47 -172.01 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 123.063 1.411 . . . . 10.0 110.637 -175.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.637 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 5.1 mmmm -87.92 101.98 14.26 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 102.795 -3.039 . . . . 10.0 102.795 170.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.494 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -48.23 -7.42 0.02 OUTLIER 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 116.308 1.966 . . . . 10.0 116.308 -178.136 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.56 16.38 22.25 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-O 121.012 0.434 . . . . 10.0 110.973 175.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.448 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -137.63 147.47 44.99 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 123.218 1.485 . . . . 10.0 110.171 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.565 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -148.79 151.22 34.82 Favored Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 111.364 -2.653 . . . . 10.0 108.549 -177.449 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.595 ' HA ' ' O ' ' A' ' 57' ' ' HIS . 2.8 Cg_endo -49.17 123.06 9.45 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.84 2.36 . . . . 10.0 107.258 176.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -124.71 -9.47 7.31 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 113.626 -1.625 . . . . 10.0 108.805 176.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.43 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -91.54 6.81 5.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-N 115.414 -0.812 . . . . 10.0 110.673 -175.719 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.615 ' HE2' HG22 ' A' ' 40' ' ' VAL . 2.2 m-30 -39.72 -46.13 1.83 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.943 1.09 . . . . 10.0 113.943 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.92 170.29 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 -179.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -77.67 -74.31 0.26 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.429 -0.952 . . . . 10.0 108.429 178.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -140.57 -63.22 0.48 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.313 178.662 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.48 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.7 p -159.83 133.69 5.07 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.518 -0.31 . . . . 10.0 110.69 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 7.9 Cg_exo -68.7 169.8 16.68 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.906 2.404 . . . . 10.0 111.177 178.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.774 0 CA-C-O 118.061 -0.971 . . . . 10.0 109.987 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.867 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 O4'-C4'-C3' 104.887 -0.713 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.867 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-N19 108.739 1.174 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.857 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.059 0 O4'-C1'-N19 109.371 1.964 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.857 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 O4'-C1'-N19 108.649 1.061 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.759 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O3'-P-O5' 102.237 -0.928 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.759 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O4'-C1'-N19 108.708 1.135 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.991 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.6 0 O4'-C1'-N19 109.07 1.587 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.991 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 N19-C1'-C2' 116.516 1.448 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.476 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.267 0 O4'-C1'-N19 109.255 1.819 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.575 H2'' HG21 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.421 -1.211 0 O4'-C1'-N19 109.285 1.857 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.434 ' OP2' HG21 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 O3'-P-O5' 100.791 -1.689 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.457 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.422 -1.099 0 C2'-C3'-O3' 113.804 1.187 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.494 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O4'-C1'-C2' 107.192 0.993 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.847 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.677 0 O4'-C1'-N19 108.54 0.925 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.163 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.029 0 O4'-C1'-N19 109.871 2.589 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.163 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.451 2.366 2 N19-C1'-C2' 104.094 -6.316 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.705 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-N19 108.974 1.467 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.76 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 O4'-C1'-N19 109.091 1.614 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.847 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.633 0 O4'-C1'-C2' 107.202 1.002 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.847 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 N19-C1'-C2' 115.978 1.111 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.468 ' C8 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C1'-C2' 107.099 0.908 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.728 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.418 -1.367 0 O4'-C1'-N19 109.318 1.897 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.734 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 O3'-P-O5' 101.073 -1.541 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O4'-C1'-N19 108.913 1.392 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . 0.492 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.046 0 O4'-C1'-N19 108.727 1.159 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.719 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O3'-P-O5' 100.868 -1.648 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.719 ' C8 ' H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-N19 108.477 0.846 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.69 ' C6 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-N19 108.727 1.159 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.609 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-C2' 107.111 0.919 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.494 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C1'-N19 108.97 1.463 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.534 H2'' ' C6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.713 0 O4'-C1'-C2' 107.042 0.856 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.534 ' C6 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.029 0 O4'-C1'-C2' 106.956 0.779 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.435 ' SD ' ' H72' ' C' ' 20' ' ' ' DT' . 19.8 ptp . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 109.96 -0.385 . . . . 10.0 109.96 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.534 ' CG1' ' HB2' ' A' ' 14' ' ' TYR . 0.2 OUTLIER -82.64 -11.39 12.14 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 N-CA-C 110.153 -0.314 . . . . 10.0 110.153 178.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.437 ' NE2' ' H73' ' C' ' 20' ' ' ' DT' . 23.5 mt-30 -47.77 -58.69 4.02 Favored 'General case' 0 C--O 1.236 0.385 0 O-C-N 124.006 0.816 . . . . 10.0 110.679 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.574 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 3.2 t -179.06 168.35 1.57 Allowed 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 121.229 0.538 . . . . 10.0 111.573 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.77 160.35 28.44 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 107.017 -1.475 . . . . 10.0 107.017 -176.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.628 ' HA ' ' HB3' ' A' ' 46' ' ' LYS . 1.5 m -69.22 3.71 2.04 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 113.252 -1.795 . . . . 10.0 113.147 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' A' ' 81' ' ' PHE . . . -59.09 -146.23 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 121.742 0.782 . . . . 10.0 110.364 176.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.445 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 10.9 p90 -135.68 68.99 1.44 Allowed 'General case' 0 C--N 1.31 -1.147 0 O-C-N 120.649 -1.282 . . . . 10.0 108.375 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.48 6.49 8.02 Favored Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 118.57 -1.776 . . . . 10.0 115.144 178.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.5 t -91.21 73.33 6.25 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 113.374 0.879 . . . . 10.0 113.374 -177.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.574 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 8.5 mmmt -73.53 65.82 0.96 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 107.606 -1.257 . . . . 10.0 107.606 176.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.09 35.04 0.85 Allowed 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.719 -0.613 . . . . 10.0 111.851 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -24.81 135.7 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 O-C-N 124.929 1.393 . . . . 10.0 112.404 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.591 ' CD2' ' HD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -40.2 112.09 0.25 Allowed 'General case' 0 N--CA 1.478 0.96 0 CA-C-O 121.754 0.787 . . . . 10.0 110.842 -178.268 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.517 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 15.4 t0 -133.57 106.2 7.29 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 107.25 -1.389 . . . . 10.0 107.25 177.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -59.16 -15.4 14.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.843 0.83 . . . . 10.0 111.013 179.862 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.402 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 11.1 m-20 -76.92 -24.19 52.45 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.557 -1.201 . . . . 10.0 109.35 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -101.99 150.31 37.32 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 107.502 -1.296 . . . . 10.0 107.502 179.216 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -90.73 74.06 0.95 Allowed 'Trans proline' 0 N--CA 1.46 -0.5 0 N-CA-C 115.898 1.461 . . . . 10.0 115.898 -178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.514 HG13 ' HG3' ' A' ' 18' ' ' LYS . 0.9 OUTLIER -146.39 149.24 16.24 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-O 121.242 0.544 . . . . 10.0 112.162 176.806 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.461 ' H ' ' HG ' ' A' ' 55' ' ' SER . 2.5 p -111.66 169.3 8.92 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 108.168 -1.049 . . . . 10.0 108.168 177.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.591 ' HD2' ' CD2' ' A' ' 14' ' ' TYR . 0.8 OUTLIER -113.7 103.76 11.55 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 117.503 2.409 . . . . 10.0 117.503 -176.143 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.75 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -107.76 159.2 16.67 Favored 'General case' 0 C--O 1.199 -1.598 0 N-CA-C 114.645 1.35 . . . . 10.0 114.645 -171.503 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.736 ' HG3' ' H72' ' B' ' 8' ' ' ' DT' . 12.2 mtmm -95.01 165.48 12.41 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 118.289 -1.364 . . . . 10.0 111.266 178.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.92 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 2.2 m-85 -58.24 157.98 15.49 Favored Pre-proline 0 N--CA 1.469 0.496 0 CA-C-N 118.812 0.733 . . . . 10.0 111.254 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.587 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 98.5 Cg_endo -74.51 85.6 1.43 Allowed 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.887 2.391 . . . . 10.0 107.56 176.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -70.29 -34.83 73.23 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 112.351 -2.204 . . . . 10.0 114.999 -173.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 p -93.65 8.78 39.59 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 113.521 -1.672 . . . . 10.0 111.745 -176.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.51 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 3.8 ttm105 -135.03 63.22 56.54 Favored Pre-proline 0 N--CA 1.445 -0.715 0 N-CA-C 106.059 -1.83 . . . . 10.0 106.059 173.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.43 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.5 Cg_endo -50.19 -50.75 12.55 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.512 2.808 . . . . 10.0 114.324 -175.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -48.17 51.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.416 0.627 . . . . 10.0 109.346 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.51 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 2.2 tm? -69.17 -34.6 75.21 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.92 -1.036 . . . . 10.0 109.101 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.92 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 17.0 t -62.39 -36.75 83.27 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 107.893 -1.151 . . . . 10.0 107.893 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -68.89 -24.75 64.36 Favored 'General case' 0 N--CA 1.424 -1.742 0 N-CA-C 113.442 0.905 . . . . 10.0 113.442 -175.837 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.478 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -74.96 -24.62 58.49 Favored 'General case' 0 CA--C 1.494 -1.18 0 C-N-CA 115.557 -2.457 . . . . 10.0 108.873 178.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.72 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.0 m0 -57.64 -29.71 64.79 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 105.281 -2.118 . . . . 10.0 105.281 177.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -53.99 -50.72 65.93 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 124.115 1.912 . . . . 10.0 110.085 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -54.85 -33.95 62.36 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 109.944 -3.298 . . . . 10.0 112.522 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.29 -13.9 42.39 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 120.174 -0.61 . . . . 10.0 110.829 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.862 HG22 ' HE2' ' A' ' 81' ' ' PHE . 9.9 t -92.75 33.33 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 CA-C-O 122.028 0.918 . . . . 10.0 108.527 173.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.05 13.6 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.523 1.675 . . . . 10.0 115.523 -176.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.24 157.44 25.19 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 121.549 -0.719 . . . . 10.0 110.939 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -57.08 -51.51 68.99 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.307 0.575 . . . . 10.0 110.239 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.17 64.89 8.82 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.458 -0.792 . . . . 10.0 110.605 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.638 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 1.1 t80 -52.46 118.69 3.76 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.963 -0.754 . . . . 10.0 108.963 177.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.638 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 1.2 tttp -63.02 -170.93 0.04 OUTLIER Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.503 1.121 . . . . 10.0 110.949 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.553 ' HA ' ' OP2' ' C' ' 21' ' ' ' DG' . 51.3 Cg_exo -43.67 175.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 123.019 2.479 . . . . 10.0 114.309 179.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.674 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 37.5 p -84.81 -153.62 0.16 Allowed 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 102.773 -3.047 . . . . 10.0 102.773 172.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.542 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -90.28 -4.28 57.25 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 111.222 -2.717 . . . . 10.0 113.983 -173.293 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.729 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 90.8 m-85 -80.1 -29.04 38.98 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 105.578 -2.008 . . . . 10.0 105.578 174.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.546 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 0.9 OUTLIER -65.25 171.24 3.94 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 120.477 1.489 . . . . 10.0 108.843 174.003 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.481 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.77 161.18 15.67 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.016 -0.993 . . . . 10.0 109.802 -178.213 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.732 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.2 mp -129.02 156.58 41.73 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 CA-C-N 113.956 -1.475 . . . . 10.0 108.627 -175.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.542 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 12.9 p -105.26 154.42 20.27 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.742 0.782 . . . . 10.0 110.279 178.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.75 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -55.38 -35.35 65.19 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 119.228 3.047 . . . . 10.0 119.228 -172.034 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.98 -15.61 3.72 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 113.767 1.025 . . . . 10.0 113.767 -177.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.484 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 89.3 m-70 -80.79 -18.7 46.75 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 114.214 1.19 . . . . 10.0 114.214 -177.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.438 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -138.19 133.55 33.41 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 -178.628 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 62' ' ' SER . 1.3 p -39.48 140.01 0.82 Allowed Pre-proline 0 CA--C 1.499 -0.986 0 O-C-N 124.969 1.418 . . . . 10.0 110.86 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -51.23 -29.9 31.09 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.514 2.143 . . . . 10.0 111.971 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.425 ' OD2' ' HB ' ' A' ' 59' ' ' THR . 0.9 OUTLIER -61.39 -49.44 76.91 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 105.451 -2.055 . . . . 10.0 105.451 174.108 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.824 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 4.1 m -82.68 6.37 18.14 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 115.607 1.706 . . . . 10.0 115.607 -173.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -44.87 -76.07 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 114.291 -1.322 . . . . 10.0 114.417 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.591 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 5.0 pttp -166.92 -141.5 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.261 1.208 . . . . 10.0 114.261 -176.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.592 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 0.7 OUTLIER -50.29 -18.86 0.68 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.081 1.352 . . . . 10.0 114.186 -177.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -77.35 5.93 7.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.068 0.461 . . . . 10.0 109.794 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.819 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 13.7 t -66.37 -111.91 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.331 -0.85 . . . . 10.0 112.222 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -100.46 -67.58 0.85 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.941 0.348 . . . . 10.0 111.941 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.421 ' CG ' ' N ' ' A' ' 70' ' ' LYS . 1.4 p-10 -103.4 -66.35 0.95 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 120.473 -0.491 . . . . 10.0 112.279 -179.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.421 ' N ' ' CG ' ' A' ' 69' ' ' ASN . 26.3 mmtm -147.95 -2.41 0.54 Allowed 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 113.864 1.061 . . . . 10.0 113.864 -177.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.819 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -140.87 -159.21 0.93 Allowed 'General case' 0 C--O 1.207 -1.184 0 C-N-CA 120.094 -0.643 . . . . 10.0 111.215 -177.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.784 HD12 HD13 ' A' ' 71' ' ' LEU . 1.2 mp -70.61 -167.49 0.19 Allowed 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 123.431 1.586 . . . . 10.0 110.302 -177.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.824 ' CD ' ' HA ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -90.13 102.84 15.55 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 111.68 -2.509 . . . . 10.0 105.212 172.286 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.485 ' HB2' ' NE ' ' A' ' 29' ' ' ARG . 4.4 tt0 -47.08 -10.14 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 115.903 1.816 . . . . 10.0 115.903 -179.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -109.46 18.74 20.06 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 115.567 -0.742 . . . . 10.0 111.859 175.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.406 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -141.58 148.35 39.13 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 123.82 1.771 . . . . 10.0 110.845 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.452 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -152.8 150.04 23.56 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 110.075 -3.239 . . . . 10.0 108.96 -176.617 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.559 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 0.9 OUTLIER -44.92 124.74 6.03 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 123.904 3.069 . . . . 10.0 108.764 176.809 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 77' ' ' VAL . 30.6 p -124.73 -11.78 7.19 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 113.754 -1.566 . . . . 10.0 110.067 177.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.471 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 1.7 mm -90.46 9.15 3.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-N 115.579 -0.737 . . . . 10.0 112.363 -174.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.862 ' HE2' HG22 ' A' ' 40' ' ' VAL . 3.1 m-30 -38.89 -40.87 0.69 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.376 1.251 . . . . 10.0 114.376 -177.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.445 ' HB2' ' CE1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -167.9 173.22 8.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.821 0.343 . . . . 10.0 110.576 179.444 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -67.49 -31.5 71.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.884 0.85 . . . . 10.0 111.392 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.99 -33.96 76.52 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 114.239 -1.346 . . . . 10.0 112.395 -178.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.1 m -88.69 116.13 65.39 Favored Pre-proline 0 C--O 1.235 0.341 0 C-N-CA 120.251 -0.58 . . . . 10.0 111.98 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.17 148.63 85.31 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 123.011 2.474 . . . . 10.0 111.339 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.9 ptt-85 . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.204 -0.903 . . . . 10.0 110.343 -179.044 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.864 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.574 0 O4'-C4'-C3' 104.863 -0.737 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.864 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 O4'-C1'-N19 108.633 1.041 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.878 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.992 0 O4'-C1'-N19 109.222 1.777 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.878 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O3'-P-O5' 101.887 -1.112 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.711 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-C2' 106.972 0.793 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.711 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-N19 108.959 1.449 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 1.012 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.684 0 O4'-C1'-N19 109.613 2.266 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 1.012 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C5'-C4'-C3' 112.881 -1.213 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.479 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.24 0 O4'-C1'-N19 109.549 2.187 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.508 " H2'" ' CG2' ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.418 -1.401 0 O4'-C1'-N19 109.361 1.951 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.687 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O3'-P-O5' 100.886 -1.639 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.687 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C2'-C3'-O3' 113.346 1.017 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.572 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 C2'-C3'-O3' 112.969 0.878 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.981 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 O4'-C1'-C2' 106.971 0.792 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.075 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.443 0.932 0 O4'-C1'-N19 109.781 2.476 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.075 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.452 2.436 2 N19-C1'-C2' 104.317 -6.177 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.58 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C1'-N19 109.117 1.646 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.766 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.675 0 O4'-C1'-N19 108.646 1.058 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.795 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 O4'-C1'-C2' 107.108 0.916 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.795 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.099 0 O4'-C1'-C2' 107.282 1.075 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.553 ' OP2' ' HA ' ' A' ' 47' ' ' PRO . . . . . . . . 0 O5'--C5' 1.424 -1.006 0 O4'-C1'-C2' 107.155 0.959 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.674 ' OP2' HG21 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.417 -1.425 0 O4'-C1'-N19 109.308 1.885 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.729 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-N19 109.18 1.725 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-N19 109.204 1.755 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . 0.421 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.955 0 O4'-C4'-C3' 104.481 -1.119 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.421 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-N19 109.013 1.516 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.717 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 106.977 0.798 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.717 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-N19 108.839 1.299 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.575 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-N19 108.653 1.066 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.529 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C4'-C3' 104.681 -0.919 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.563 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 O4'-C1'-C2' 107.071 0.882 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.563 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-C2' 107.006 0.824 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.567 ' SD ' ' HB2' ' A' ' 3' ' ' GLN . 3.3 ptp . . . . . 0 N--CA 1.484 1.235 0 N-CA-C 109.141 -0.689 . . . . 10.0 109.141 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.771 HG21 H2'' ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -69.85 -45.35 77.33 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 O-C-N 123.174 0.296 . . . . 10.0 110.563 179.682 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.567 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 5.0 mt-30 -51.15 -50.01 59.77 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 123.99 0.806 . . . . 10.0 108.847 179.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.582 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -177.51 168.68 2.22 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.206 -0.906 . . . . 10.0 110.921 178.746 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.8 m -78.57 175.44 10.36 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 123.052 1.406 . . . . 10.0 107.923 -177.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.578 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 33.0 t -81.36 -3.83 53.88 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 111.685 -2.507 . . . . 10.0 111.461 -178.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.48 -148.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.825 0.821 . . . . 10.0 112.839 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.408 ' HB3' ' HG ' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -114.71 68.78 0.7 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.905 -0.776 . . . . 10.0 108.905 -179.43 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.91 36.52 7.71 Favored Glycine 0 N--CA 1.435 -1.416 0 C-N-CA 119.834 -1.174 . . . . 10.0 114.988 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.429 ' O ' ' SG ' ' A' ' 10' ' ' CYS . 4.5 t -90.04 75.52 7.11 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.591 0.71 . . . . 10.0 112.349 -178.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.582 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 17.4 mttt -72.93 60.73 0.54 Allowed 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 177.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.44 ' OD1' ' HE2' ' A' ' 18' ' ' LYS . 1.1 m-80 -90.31 30.39 1.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.706 -0.621 . . . . 10.0 111.163 -179.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -27.14 135.91 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 O-C-N 124.963 1.414 . . . . 10.0 111.174 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -43.28 111.01 0.23 Allowed 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 122.269 1.033 . . . . 10.0 111.65 -176.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.639 ' OD2' ' HB2' ' A' ' 17' ' ' ASP . 24.8 t70 -134.66 112.08 10.51 Favored 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 104.955 -2.239 . . . . 10.0 104.955 177.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -17.1 62.05 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.205 -0.907 . . . . 10.0 110.704 -179.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.639 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . 2.8 m-20 -72.46 -25.93 61.63 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.361 -1.29 . . . . 10.0 109.566 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -98.14 145.64 30.15 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 108.267 -1.012 . . . . 10.0 108.267 178.868 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -89.07 75.75 1.44 Allowed 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 121.868 1.712 . . . . 10.0 116.299 -177.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.449 ' HB ' ' OG ' ' A' ' 55' ' ' SER . 1.7 m -147.97 148.24 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-O 121.611 0.72 . . . . 10.0 111.388 177.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.0 p -105.7 168.61 8.99 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 115.016 -0.993 . . . . 10.0 108.839 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.42 102.16 9.57 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 118.231 2.678 . . . . 10.0 118.231 -177.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.791 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -99.76 -174.27 2.66 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.764 -1.21 . . . . 10.0 114.201 -170.053 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.531 ' HD3' ' H72' ' B' ' 8' ' ' ' DT' . 2.9 mtpt -127.96 165.56 20.02 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 105.347 -2.094 . . . . 10.0 105.347 -177.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.971 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.6 m-85 -60.0 152.31 61.16 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 119.258 0.935 . . . . 10.0 111.062 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.566 ' HB3' HD13 ' A' ' 72' ' ' LEU . 74.1 Cg_endo -76.66 67.08 7.35 Favored 'Trans proline' 0 CA--C 1.516 -0.381 0 C-N-CA 122.949 2.433 . . . . 10.0 108.326 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.624 HD21 ' HG3' ' A' ' 49' ' ' LYS . 7.7 mt -49.66 -36.78 25.96 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-O 124.515 2.102 . . . . 10.0 114.817 -177.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.0 p -88.07 -1.93 58.3 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 109.49 -3.505 . . . . 10.0 113.48 -176.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.57 ' HD2' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -128.18 61.51 53.22 Favored Pre-proline 0 N--CA 1.442 -0.844 0 N-CA-C 105.506 -2.035 . . . . 10.0 105.506 174.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.493 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 8.4 Cg_endo -48.71 -56.41 3.18 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 124.225 3.283 . . . . 10.0 116.504 -174.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.84 -40.07 69.23 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.593 HD21 ' O ' ' A' ' 76' ' ' ALA . 1.2 tm? -71.86 -33.86 68.76 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.738 -1.208 . . . . 10.0 107.738 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.971 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 18.6 t -64.61 -37.13 86.53 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 106.965 -1.494 . . . . 10.0 106.965 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -68.68 -24.0 64.45 Favored 'General case' 0 N--CA 1.417 -2.079 0 N-CA-C 113.413 0.894 . . . . 10.0 113.413 -175.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.449 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.2 pt-20 -77.29 -18.21 57.73 Favored 'General case' 0 CA--C 1.495 -1.16 0 C-N-CA 116.535 -2.066 . . . . 10.0 109.029 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.689 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.9 m0 -61.59 -28.4 69.33 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 106.284 -1.747 . . . . 10.0 106.284 177.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -57.7 -39.99 78.46 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-O 124.006 1.86 . . . . 10.0 111.409 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.57 -29.33 66.86 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 109.727 -3.397 . . . . 10.0 109.758 -174.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.6 -14.15 38.24 Favored 'General case' 0 C--N 1.306 -1.299 0 C-N-CA 120.216 -0.594 . . . . 10.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 36' ' ' TRP . 8.8 t -93.82 36.14 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-O 122.105 0.955 . . . . 10.0 108.829 174.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.38 13.31 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 116.644 2.09 . . . . 10.0 116.644 -178.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -94.07 147.46 23.12 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 119.089 0.859 . . . . 10.0 111.403 -179.613 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 45.3 tttt -53.56 -46.98 70.46 Favored 'General case' 0 CA--C 1.508 -0.668 0 O-C-N 123.755 0.659 . . . . 10.0 111.268 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.66 66.31 9.5 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 115.007 -0.997 . . . . 10.0 110.16 -179.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.549 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 5.4 t80 -55.17 118.39 4.32 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.298 -0.865 . . . . 10.0 109.173 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.578 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -57.51 -172.58 0.03 OUTLIER Pre-proline 0 CA--C 1.551 1.001 0 CA-C-N 114.576 -1.193 . . . . 10.0 111.311 178.814 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.782 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 84.2 Cg_exo -44.74 175.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 C-N-CA 122.237 1.958 . . . . 10.0 112.931 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.659 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 34.2 p -81.88 -155.79 0.14 Allowed 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 103.745 -2.687 . . . . 10.0 103.745 173.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.624 ' HG3' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -89.33 -2.85 58.59 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 111.589 -2.55 . . . . 10.0 113.619 -173.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.686 ' CD1' ' H5 ' ' C' ' 23' ' ' ' DC' . 84.6 m-85 -78.67 -31.11 46.56 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 105.12 -2.178 . . . . 10.0 105.12 174.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.782 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 10.2 p -62.52 173.24 1.29 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 121.205 1.821 . . . . 10.0 109.052 175.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.572 ' C ' HD12 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -109.77 162.38 14.52 Favored 'General case' 0 N--CA 1.429 -1.509 0 CA-C-N 114.189 -1.369 . . . . 10.0 110.829 -177.527 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.572 HD12 ' C ' ' A' ' 52' ' ' SER . 3.4 mp -131.48 156.51 42.7 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.658 0 CA-C-N 115.066 -0.97 . . . . 10.0 108.534 -175.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.672 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 14.2 p -105.94 161.69 14.24 Favored 'General case' 0 CA--C 1.555 1.163 0 CA-C-N 119.641 1.11 . . . . 10.0 112.23 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.791 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 1.3 p -59.45 -34.96 73.17 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 119.278 3.066 . . . . 10.0 119.278 -171.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -14.58 3.58 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 114.366 1.247 . . . . 10.0 114.366 -176.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.596 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 90.8 m-70 -87.27 -15.84 36.93 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 115.099 1.518 . . . . 10.0 115.099 -176.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.517 ' CE1' ' HA ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -138.16 141.28 40.09 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 119.795 -0.762 . . . . 10.0 111.176 -177.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.428 ' HA ' ' HD2' ' A' ' 60' ' ' PRO . 1.9 p -45.64 137.42 5.61 Favored Pre-proline 0 N--CA 1.423 -1.777 0 CA-C-N 114.271 -1.331 . . . . 10.0 110.12 179.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.524 ' HA ' ' CD1' ' A' ' 63' ' ' PHE . 8.0 Cg_endo -48.83 -30.1 16.46 Favored 'Trans proline' 0 C--N 1.318 -1.035 0 C-N-CA 123.481 2.787 . . . . 10.0 112.33 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.638 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 7.0 m-20 -62.35 -46.65 87.74 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 113.443 -1.708 . . . . 10.0 108.049 176.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.589 ' OG ' ' HG2' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -91.92 7.08 43.72 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 113.761 1.023 . . . . 10.0 113.761 -175.692 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.524 ' CD1' ' HA ' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -40.48 -58.98 1.44 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.42 -1.264 . . . . 10.0 113.276 179.021 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.495 ' HD2' ' OP1' ' B' ' 8' ' ' ' DT' . 10.2 pttp -174.11 -136.54 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 112.919 0.711 . . . . 10.0 112.919 -178.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -62.95 -16.86 60.94 Favored 'General case' 0 C--N 1.342 0.274 0 N-CA-C 112.474 0.546 . . . . 10.0 112.474 -177.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.404 ' OE1' ' HG3' ' A' ' 64' ' ' LYS . 2.2 mp0 -83.35 7.23 17.25 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.918 0.389 . . . . 10.0 110.254 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.799 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 1.8 t -67.76 -103.87 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.694 -0.685 . . . . 10.0 111.625 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.445 ' N ' ' OG ' ' A' ' 67' ' ' SER . 0.2 OUTLIER -99.37 -71.57 0.69 Allowed 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 120.884 0.373 . . . . 10.0 110.757 -179.25 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -100.89 -70.98 0.72 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.67 -0.696 . . . . 10.0 112.107 -178.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.64 2.66 0.95 Allowed 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 112.56 0.578 . . . . 10.0 112.56 -178.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.799 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -144.86 -164.84 2.01 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.944 -0.762 . . . . 10.0 108.944 179.359 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.791 HD12 HD13 ' A' ' 71' ' ' LEU . 4.0 mp -63.18 -172.27 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 123.488 1.613 . . . . 10.0 109.744 -176.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.742 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.1 OUTLIER -90.64 103.87 16.52 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 104.413 -2.44 . . . . 10.0 104.413 170.477 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.57 ' HB2' ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -51.44 -4.26 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 115.622 1.712 . . . . 10.0 115.622 -179.004 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.423 ' H ' ' C ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -108.95 18.17 20.96 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.216 -0.902 . . . . 10.0 110.534 175.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.593 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -144.36 150.64 38.1 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 122.902 1.334 . . . . 10.0 109.936 -179.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.53 ' O ' HG23 ' A' ' 79' ' ' THR . 0.1 OUTLIER -152.45 151.15 26.64 Favored Pre-proline 0 CA--C 1.548 0.873 0 CA-C-N 111.933 -2.394 . . . . 10.0 109.464 -177.447 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.607 ' HD2' ' CE2' ' A' ' 36' ' ' TRP . 2.2 Cg_endo -46.43 120.41 3.81 Favored 'Trans proline' 0 C--N 1.362 1.281 0 C-N-CA 123.505 2.803 . . . . 10.0 105.764 176.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 77' ' ' VAL . 21.9 p -123.65 -10.6 7.83 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 113.609 -1.632 . . . . 10.0 110.162 177.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.43 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 1.0 OUTLIER -91.38 4.9 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.674 -0.693 . . . . 10.0 110.97 -176.711 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.444 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.6 m-30 -38.39 -49.26 1.43 Allowed 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 113.779 1.029 . . . . 10.0 113.779 -177.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.464 HD11 ' HG3' ' A' ' 86' ' ' PRO . 0.0 OUTLIER -174.63 159.45 2.9 Favored 'General case' 0 CA--C 1.513 -0.445 0 O-C-N 123.273 0.358 . . . . 10.0 110.227 -179.347 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -80.2 -76.98 0.2 Allowed 'General case' 0 C--O 1.235 0.29 0 O-C-N 124.085 0.866 . . . . 10.0 110.442 -178.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.77 -78.58 0.59 Allowed 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.463 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 p -152.51 132.32 7.15 Favored Pre-proline 0 CA--C 1.53 0.178 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.464 ' HG3' HD11 ' A' ' 82' ' ' LEU . 16.0 Cg_exo -65.77 -179.59 1.36 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.688 2.259 . . . . 10.0 112.143 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.316 -0.863 0 CA-C-O 117.597 -1.192 . . . . 10.0 109.785 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.889 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-N19 108.594 0.993 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.889 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O4'-C1'-N19 108.645 1.056 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.886 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.422 -1.139 0 O4'-C1'-N19 109.264 1.83 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.886 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.422 -1.106 0 O4'-C4'-C3' 104.614 -0.986 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.777 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.058 0 O4'-C1'-C2' 106.94 0.764 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.777 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-N19 108.459 0.823 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.961 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 O4'-C1'-N19 108.978 1.473 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.961 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 N19-C1'-C2' 116.885 1.678 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.504 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.399 0 O4'-C1'-N19 108.951 1.439 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.771 H2'' HG21 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.421 -1.213 0 N19-C1'-C2' 117.111 1.819 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.403 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.14 0 O3'-P-O5' 100.593 -1.793 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.477 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.087 0 C2'-C3'-O3' 114.161 1.319 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.564 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 O4'-C1'-C2' 107.262 1.057 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.938 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 O4'-C4'-C3' 104.748 -0.852 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.044 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.024 0 O4'-C1'-N19 109.669 2.336 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.044 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.452 2.447 2 N19-C1'-C2' 104.521 -6.049 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.727 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.511 -0.686 0 O4'-C1'-N19 108.775 1.219 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.801 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.074 0 O4'-C1'-N19 108.878 1.348 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.882 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 O4'-C1'-C2' 107.218 1.017 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.882 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 O4'-C1'-C2' 107.126 0.932 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.434 ' OP2' ' HA ' ' A' ' 47' ' ' PRO . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C4'-C3' 104.802 -0.798 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.659 ' OP2' HG21 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.42 -1.26 0 O5'-P-OP2 105.045 -1.206 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.686 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.429 -0.679 0 O4'-C1'-N19 109.261 1.826 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C1'-N19 108.797 1.247 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C4'-C3' 104.467 -1.133 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.522 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.664 0 O3'-P-O5' 101.575 -1.276 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.799 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 O4'-C4'-C3' 104.753 -0.847 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.799 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 O4'-C1'-C2' 107.259 1.054 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.639 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 O4'-C1'-N19 108.88 1.35 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.495 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 O5'-C5'-C4' 111.893 1.209 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.623 H2'' ' C6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 P--O3' 1.599 -0.63 0 O4'-C1'-N19 108.692 1.115 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.623 ' C6 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-C2' 107.079 0.89 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_